Cas no 1065074-61-4 (Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate)

Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate structure
1065074-61-4 structure
Product Name:Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate
CAS No:1065074-61-4
MF:C8H10N2O2S
MW:198.242200374603
MDL:MFCD11053814
CID:857757
PubChem ID:46738915
Update Time:2025-07-25

Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate
    • methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate
    • 2-Amino-4-cyclopropyl-5-thiazolecarboxylic acid methyl ester
    • MFCD11053814
    • METHYL2-AMINO-4-CYCLOPROPYLTHIAZOLE-5-CARBOXYLATE
    • EN300-119899
    • Z1198309935
    • SCHEMBL7983424
    • 1065074-61-4
    • CS-0211695
    • BS-26002
    • DB-351836
    • DTXSID10674559
    • AKOS006307887
    • MDL: MFCD11053814
    • Inchi: 1S/C8H10N2O2S/c1-12-7(11)6-5(4-2-3-4)10-8(9)13-6/h4H,2-3H2,1H3,(H2,9,10)
    • InChI Key: QRLSMSRWINQRJB-UHFFFAOYSA-N
    • SMILES: S1C(N)=NC(=C1C(=O)OC)C1CC1

Computed Properties

  • Exact Mass: 198.04600
  • Monoisotopic Mass: 198.046
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 220
  • 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: 93.4A^2
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.412±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (1.6 g/l) (25 o C),
  • PSA: 93.45000
  • LogP: 1.97050

Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate 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 Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate

Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate (CAS No. 1065074-61-4): A Comprehensive Overview

Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate, identified by its CAS number 1065074-61-4, is a significant compound in the field of pharmaceutical chemistry. This heterocyclic compound features a thiazole core, which is a pivotal structural motif in medicinal chemistry due to its broad spectrum of biological activities. The presence of both amino and carboxylate functional groups, along with a cyclopropyl substituent, enhances its potential as a pharmacophore in drug design and development.

The thiazole ring itself is renowned for its role in various bioactive molecules, including antibiotics, antifungals, and anti-inflammatory agents. The structural flexibility offered by the cyclopropyl group further contributes to the compound's pharmacological properties, making it an attractive candidate for further investigation. Recent studies have highlighted the importance of thiazole derivatives in addressing emerging therapeutic challenges, particularly in the realm of infectious diseases and inflammatory conditions.

In the context of modern drug discovery, Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate has garnered attention for its potential applications in the development of novel therapeutic agents. The compound's unique structural features suggest that it may interact with biological targets in ways that conventional drugs do not. This has spurred interest among researchers exploring new chemical entities (NCEs) that could offer improved efficacy and reduced side effects.

One of the most compelling aspects of this compound is its potential as a scaffold for designing small-molecule inhibitors. The combination of the amino group, which can form hydrogen bonds, and the carboxylate group, which can participate in ionic interactions, makes it well-suited for binding to biological macromolecules such as enzymes and receptors. Additionally, the cyclopropyl moiety can introduce steric hindrance that may enhance binding affinity and selectivity.

Recent advancements in computational chemistry have enabled more efficient screening of compounds like Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate. Molecular docking studies have been instrumental in predicting potential binding modes and affinities with target proteins. These computational approaches have complemented experimental efforts, allowing researchers to prioritize compounds for further validation. The integration of machine learning algorithms has further accelerated this process by identifying promising candidates based on large datasets.

The synthesis of Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate presents an interesting challenge due to the complexity of its structure. However, recent methodological developments have made it more feasible to produce this compound on a scalable basis. Advances in catalytic methods have enabled more efficient transformations, reducing the number of synthetic steps required. This has not only improved yield but also minimized waste, aligning with green chemistry principles.

In vitro studies have begun to uncover the biological profile of this compound. Preliminary data suggest that it exhibits inhibitory activity against certain enzymes implicated in inflammatory pathways. This aligns with the growing interest in thiazole derivatives as potential treatments for conditions such as rheumatoid arthritis and inflammatory bowel disease. Further research is needed to fully elucidate its mechanism of action and therapeutic potential.

The impact of this compound extends beyond academic research; it holds promise for industrial applications as well. Pharmaceutical companies are increasingly looking for novel starting materials that can be incorporated into drug candidates with minimal modifications. The versatility of Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate makes it an attractive building block for such purposes.

Regulatory considerations are also an important aspect when evaluating new compounds like this one. Ensuring compliance with safety and quality standards is crucial for their progression from laboratory research to clinical use. Collaborative efforts between academia and industry are essential to navigate these regulatory pathways efficiently.

The future directions for research on Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate are multifaceted. Exploring its derivatives through structure-activity relationship (SAR) studies could reveal new pharmacological properties. Additionally, investigating its interactions with cellular components using advanced imaging techniques may provide deeper insights into its biological effects.

In conclusion, Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate (CAS No. 1065074-61-4) represents a promising candidate in pharmaceutical chemistry due to its unique structural features and potential biological activities. Its thiazole core combined with functional groups like amino and carboxylate makes it a versatile scaffold for drug discovery efforts aimed at addressing various therapeutic challenges.

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