Cas no 120237-76-5 (5-Methylthiazole-4-carboxylic acid)

5-Methylthiazole-4-carboxylic acid is a heterocyclic compound featuring a thiazole ring substituted with a methyl group at the 5-position and a carboxylic acid functional group at the 4-position. This structure makes it a valuable intermediate in organic synthesis and pharmaceutical research, particularly in the development of bioactive molecules. Its reactive carboxylic acid group allows for further derivatization, enabling the formation of amides, esters, and other functionalized derivatives. The thiazole core contributes to its potential applications in medicinal chemistry, including antimicrobial and anti-inflammatory agents. The compound is typically characterized by high purity and stability, ensuring consistent performance in synthetic applications.
5-Methylthiazole-4-carboxylic acid structure
120237-76-5 structure
Product Name:5-Methylthiazole-4-carboxylic acid
CAS No:120237-76-5
MF:C5H5NO2S
MW:143.163699865341
MDL:MFCD06738813
CID:63481
PubChem ID:14109320
Update Time:2025-06-09

5-Methylthiazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Methylthiazole-4-carboxylic acid
    • 5-METHYL-1,3-THIAZOLE-4-CARBOXYLIC ACID
    • 4-Carboxy-5-methyl-1,3-thiazole
    • 5-Methylthiazol-4-carboxylic acid
    • 5-methyl-4-thiazolecarboxylic acid
    • 4-Thiazolecarboxylicacid, 5-Methyl-
    • 5-Methyl-thiazole-4-carboxylic acid
    • 5-Methylthiazole-4-carboxylicacid
    • OIWNDJQQIMISPC-UHFFFAOYSA-N
    • SBB053128
    • RW3355
    • AB27941
    • RP01355
    • BL001514
    • BC652152
    • EN00024
    • CS-W004929
    • PS-5012
    • AMY22904
    • 5-methyl-thiazole-4-carboxylic acid, AldrichCPR
    • SCHEMBL107379
    • EN300-116843
    • MFCD06738813
    • Z1198169843
    • DS-1437
    • 120237-76-5
    • SY033742
    • W-205087
    • AKOS006293642
    • DTXSID10555970
    • FT-0650434
    • Pyrrolidine, 2-(2,5-difluorophenyl)-
    • 4-THIAZOLECARBOXYLIC ACID, 5-METHYL-
    • DB-011451
    • ALBB-022320
    • MDL: MFCD06738813
    • Inchi: 1S/C5H5NO2S/c1-3-4(5(7)8)6-2-9-3/h2H,1H3,(H,7,8)
    • InChI Key: OIWNDJQQIMISPC-UHFFFAOYSA-N
    • SMILES: S1C=NC(C(=O)O)=C1C

Computed Properties

  • Exact Mass: 143.00400
  • Monoisotopic Mass: 143.00409958g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 128
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.2
  • Topological Polar Surface Area: 78.4

Experimental Properties

  • Density: 1.418
  • Boiling Point: 303.6°C at 760 mmHg
  • Flash Point: 137.413°C
  • Refractive Index: 1.599
  • PSA: 78.43000
  • LogP: 1.14970

5-Methylthiazole-4-carboxylic acid Security Information

5-Methylthiazole-4-carboxylic acid 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 5-Methylthiazole-4-carboxylic acid

Introduction to 5-Methylthiazole-4-carboxylic Acid (CAS No: 120237-76-5)

5-Methylthiazole-4-carboxylic acid, identified by its Chemical Abstracts Service (CAS) number 120237-76-5, 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 derivatives, a class of molecules known for their diverse biological activities and potential therapeutic applications. The structural framework of 5-Methylthiazole-4-carboxylic acid consists of a thiazole ring substituted with a methyl group at the 5-position and a carboxylic acid functional group at the 4-position, which contributes to its unique chemical properties and reactivity.

The synthesis and characterization of 5-Methylthiazole-4-carboxylic acid have been extensively studied due to its promising role as a building block in the development of novel pharmaceutical agents. The carboxylic acid moiety provides a site for further functionalization, enabling the attachment of various pharmacophores or bioactive groups. This flexibility makes it a valuable intermediate in organic synthesis, particularly in the construction of more complex molecules with tailored biological activities.

Recent advancements in the field of medicinal chemistry have highlighted the importance of thiazole derivatives in addressing various therapeutic challenges. 5-Methylthiazole-4-carboxylic acid has been explored for its potential in multiple pharmacological pathways, including antimicrobial, anti-inflammatory, and anticancer applications. The thiazole core is known to interact with biological targets such as enzymes and receptors, modulating cellular processes that are relevant to disease mechanisms.

In particular, studies have demonstrated the compound's ability to inhibit certain enzymes involved in microbial metabolism, showcasing its antimicrobial potential. The presence of the carboxylic acid group allows for further derivatization, which can enhance its binding affinity to specific microbial targets. This has led to investigations into its efficacy against resistant strains of bacteria, making it a subject of interest for developing new antibiotics.

The anti-inflammatory properties of 5-Methylthiazole-4-carboxylic acid have also been examined in preclinical studies. Thiazole derivatives are known to modulate inflammatory pathways by interacting with key signaling molecules such as NF-κB and COX enzymes. By inhibiting these pathways, 5-Methylthiazole-4-carboxylic acid may help reduce inflammation and associated symptoms in conditions like rheumatoid arthritis and inflammatory bowel disease.

Moreover, the anticancer potential of this compound has been explored through various in vitro and in vivo assays. Research suggests that 5-Methylthiazole-4-carboxylic acid can induce apoptosis in cancer cells by disrupting mitochondrial function and inhibiting key survival pathways. Its ability to selectively target cancer cells while minimizing toxicity to healthy cells makes it an attractive candidate for further development into an anticancer therapeutic.

The chemical properties of 5-Methylthiazole-4-carboxylic acid also make it a useful tool in biochemical research. The carboxylic acid group can be used to form esters or amides, which are common modifications in drug design. Additionally, the thiazole ring can participate in coordination chemistry, allowing for the development of metal-based complexes with potential therapeutic applications.

In conclusion, 5-Methylthiazole-4-carboxylic acid (CAS No: 120237-76-5) represents a significant compound in pharmaceutical research due to its structural versatility and biological activity. Its role as an intermediate in drug synthesis and its potential applications in antimicrobial, anti-inflammatory, and anticancer therapies underscore its importance in medicinal chemistry. As research continues to uncover new insights into its mechanisms of action, 5-Methylthiazole-4-carboxylic acid is poised to contribute significantly to the development of next-generation pharmaceutical agents.

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