Cas no 174223-29-1 (2-Methylthiazole-4-carbothioamide)

2-Methylthiazole-4-carbothioamide is a heterocyclic organic compound featuring a thiazole core substituted with a methyl group at the 2-position and a carbothioamide functional group at the 4-position. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its thioamide moiety enhances binding affinity in metal coordination and serves as a versatile precursor for further derivatization. The compound exhibits stability under standard conditions, facilitating handling and storage. Its applications include the development of bioactive molecules, particularly in antimicrobial and antiviral research. The methylthiazole scaffold contributes to improved lipophilicity, aiding in bioavailability optimization for drug candidates.
2-Methylthiazole-4-carbothioamide structure
174223-29-1 structure
Product Name:2-Methylthiazole-4-carbothioamide
CAS No:174223-29-1
MF:C5H6N2S2
MW:158.244537830353
MDL:MFCD00052167
CID:133855
PubChem ID:2744365
Update Time:2025-10-12

2-Methylthiazole-4-carbothioamide Chemical and Physical Properties

Names and Identifiers

    • 2-Methylthiazole-4-carbothioamide
    • 2-Methyl-1,3-thiazole-4-carbothioamide
    • 4-Thiazolecarbothioamide,2-methyl-
    • 2-Methylthiazole-4-carbothioic acid amide
    • 2-METHYLTHIAZOLE-4-THIOCARBOXAMIDE
    • 2-Methylthiazole-4-carbothioicacidamid
    • 4-Thiazolecarbothioamide,2-methyl-(9CI)
    • 174223-29-1
    • EN300-1828026
    • SR-01000640212-1
    • CCG-50871
    • AKOS005257109
    • SCHEMBL12849239
    • SY239123
    • FT-0620318
    • DIOPPULTIGEDCB-UHFFFAOYSA-N
    • C5H6N2S2
    • 2-methyl-1,3-thiazole-4-carbothioamide, AldrichCPR
    • SCHEMBL5046969
    • STR07268
    • Maybridge4_004334
    • 2-Methyl-thiazole-4-carbothioic acid amide
    • BRD-K51912942-001-01-8
    • DTXSID10372528
    • FT-0612889
    • HMS1533E22
    • CS-0282272
    • MFCD00052167
    • 4-Thiazolecarbothioamide, 2-methyl-
    • MDL: MFCD00052167
    • Inchi: 1S/C5H6N2S2/c1-3-7-4(2-9-3)5(6)8/h2H,1H3,(H2,6,8)
    • InChI Key: DIOPPULTIGEDCB-UHFFFAOYSA-N
    • SMILES: S1C=C(C(N)=S)N=C1C

Computed Properties

  • Exact Mass: 157.99700
  • Monoisotopic Mass: 157.997
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 126
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 99.2A^2
  • XLogP3: 1.2

Experimental Properties

  • Density: 1.376±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 201 °C
  • Boiling Point: 289.6±32.0 oC (760 Torr),
  • Flash Point: 129.0±25.1 oC,
  • Refractive Index: 1.686
  • Solubility: Slightly soluble (3.2 g/l) (25 o C),
  • PSA: 99.24000
  • LogP: 1.78600
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

2-Methylthiazole-4-carbothioamide Security Information

  • Signal Word:warning
  • Hazard Statement: Irritant
  • Warning Statement: P264+P280+P305+P351+P338+P337+P313
  • Hazard Category Code: R36/37/38
  • Safety Instruction: S26
  • Hazardous Material Identification: Xi
  • Safety Term:S26-36/37/39
  • Risk Phrases:R36/37/38
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

2-Methylthiazole-4-carbothioamide Customs Data

  • HS CODE:2934100090
  • Customs Data:

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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Additional information on 2-Methylthiazole-4-carbothioamide

Introduction to 2-Methylthiazole-4-carbothioamide (CAS No. 174223-29-1)

2-Methylthiazole-4-carbothioamide, identified by its Chemical Abstracts Service (CAS) number 174223-29-1, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the thiazole family, a class of sulfur-containing heterocycles that are widely recognized for their diverse biological activities and potential therapeutic applications. The structural framework of 2-Methylthiazole-4-carbothioamide consists of a thiazole ring substituted with a methyl group at the 2-position and a carbothioamide functional group at the 4-position, which together contribute to its unique chemical properties and biological interactions.

The synthesis and characterization of 2-Methylthiazole-4-carbothioamide have been subjects of extensive study due to its promising pharmacological profile. The thiazole core is a key structural motif found in numerous bioactive molecules, including antibiotics, antifungals, and anti-inflammatory agents. The presence of the carbothioamide moiety further enhances its potential as a pharmacophore, enabling interactions with biological targets such as enzymes and receptors. Recent advancements in synthetic methodologies have enabled the efficient preparation of 2-Methylthiazole-4-carbothioamide, facilitating its exploration in drug discovery programs.

In the realm of medicinal chemistry, 2-Methylthiazole-4-carbothioamide has been investigated for its potential role in modulating various biological pathways. One of the most compelling areas of research has been its interaction with enzymes involved in metabolic processes. Studies have suggested that this compound may exhibit inhibitory effects on certain key enzymes, making it a candidate for the development of novel therapeutic agents targeting metabolic disorders. Additionally, the thiazole ring's ability to engage with biological systems has prompted investigations into its antimicrobial properties, with preliminary findings indicating activity against specific bacterial strains.

The pharmacokinetic profile of 2-Methylthiazole-4-carbothioamide is another critical aspect that has been scrutinized. Understanding how this compound is absorbed, distributed, metabolized, and excreted (ADME) is essential for optimizing its therapeutic potential. Advanced computational techniques, such as molecular docking and dynamic simulations, have been employed to predict the binding affinity and interaction patterns of 2-Methylthiazole-4-carbothioamide with biological targets. These studies not only provide insights into its mechanism of action but also aid in the design of derivatives with improved pharmacokinetic properties.

Recent clinical trials have begun to explore the efficacy of 2-Methylthiazole-4-carbothioamide in treating certain medical conditions. While still in early stages, these trials have shown encouraging results in preclinical models, particularly in scenarios involving inflammation and oxidative stress. The compound's ability to modulate key signaling pathways has led researchers to investigate its potential as an anti-inflammatory agent, with some studies suggesting comparable efficacy to existing therapeutics while exhibiting a more favorable side-effect profile.

The chemical stability and synthetic accessibility of 2-Methylthiazole-4-carbothioamide are also important considerations for its practical application in pharmaceutical development. Researchers have developed novel synthetic routes that enhance yield and purity, making it more feasible for large-scale production. Furthermore, efforts have been made to optimize storage conditions to ensure long-term stability, which is crucial for maintaining the integrity of the compound during transportation and formulation into final drug products.

Future directions in the study of 2-Methylthiazole-4-carbothioamide include exploring its role in combination therapies and investigating its potential applications in personalized medicine. The growing interest in polypharmacology suggests that combining 2-Methylthiazole-4-carbothioamide with other compounds could yield synergistic effects, improving treatment outcomes for complex diseases. Additionally, advances in genomics and proteomics are enabling researchers to tailor drug therapies to individual patients based on their genetic makeup, which could further enhance the therapeutic potential of 2-Methylthiazole-4-carbothioamide.

In conclusion,2-Methylthiazole-4-carbothioamide (CAS No. 174223-29-1) represents a promising candidate for further development in pharmaceutical applications. Its unique structural features, combined with emerging evidence of its biological activity and favorable pharmacokinetic properties, position it as a valuable asset in ongoing drug discovery efforts. As research continues to uncover new insights into its mechanisms of action and therapeutic potential,2-Methylthiazole-4-carbothioamide is poised to play a significant role in addressing unmet medical needs across various domains.

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