Cas no 1174534-36-1 (2-Acetylamino-5-thiazolecarboxylic acid methyl ester)

2-Acetylamino-5-thiazolecarboxylic acid methyl ester is a thiazole derivative with significant utility in organic synthesis and pharmaceutical research. Its key structural features include an acetyl-protected amino group and an ester functionality, making it a versatile intermediate for constructing more complex heterocyclic compounds. The compound is particularly valued for its role in medicinal chemistry, where it serves as a precursor for biologically active molecules, including potential therapeutic agents. Its stability under standard conditions and well-defined reactivity profile facilitate controlled modifications, enabling precise synthetic applications. The ester group also offers flexibility for further functionalization, enhancing its utility in diverse chemical transformations.
2-Acetylamino-5-thiazolecarboxylic acid methyl ester structure
1174534-36-1 structure
Product Name:2-Acetylamino-5-thiazolecarboxylic acid methyl ester
CAS No:1174534-36-1
MF:C7H8N2O3S
MW:200.215020179749
CID:1071760
PubChem ID:49875402
Update Time:2025-05-23

2-Acetylamino-5-thiazolecarboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Acetylamino-5-thiazolecarboxylic acid methyl ester
    • Methyl 2-(acetylamino)-1,3-thiazole-5-carboxylate, 2-Acetamido-5-(methoxycarbonyl)-1,3-thiazole
    • 2-Acetamido-5-(methoxycarbonyl)-1,3-thiazole
    • CTK8E2280
    • FT-0685924
    • Methyl 2-(acetylamino)-1,3-thiazole-5-carboxylate
    • methyl 2-acetamidothiazole-5-carboxylate
    • RP09121
    • SY318702
    • AKOS000279352
    • CS-0208192
    • W-204945
    • DTXSID80678842
    • methyl 2-acetamido-1,3-thiazole-5-carboxylate
    • AU-059/43521957
    • MFCD17015003
    • BS-26043
    • Methyl2-acetamidothiazole-5-carboxylate
    • 2-Acetylamino-5-thiazolecarboxylic acid methyl ester, AldrichCPR
    • SCHEMBL2370795
    • J-507708
    • METHYL 2-ACETAMIDO-1,3-THIAZOLE-5-CARBOXYLATE 97%
    • BDOCUFPLXVCJIO-UHFFFAOYSA-N
    • 2-ACETYLAMINO-5-THIAZOLECARBOXYLIC ACID METHYL ESTER[1174534-36-1]
    • 1174534-36-1
    • ZWB53436
    • MDL: MFCD17015003
    • Inchi: 1S/C7H8N2O3S/c1-4(10)9-7-8-3-5(13-7)6(11)12-2/h3H,1-2H3,(H,8,9,10)
    • InChI Key: BDOCUFPLXVCJIO-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)OC)=CN=C1NC(C)=O

Computed Properties

  • Exact Mass: 200.02556330g/mol
  • Monoisotopic Mass: 200.02556330g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 222
  • 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
  • XLogP3: 0.6
  • Topological Polar Surface Area: 96.5?2

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Additional information on 2-Acetylamino-5-thiazolecarboxylic acid methyl ester

Comprehensive Overview of 2-Acetylamino-5-thiazolecarboxylic acid methyl ester (CAS No. 1174534-36-1)

2-Acetylamino-5-thiazolecarboxylic acid methyl ester (CAS No. 1174534-36-1) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This thiazole derivative is characterized by its unique molecular structure, combining an acetylated amino group with a methyl ester functionality. Researchers are particularly interested in this compound due to its potential as a building block for more complex molecules, especially in the development of novel heterocyclic compounds with biological activity.

The growing demand for thiazole-based compounds in medicinal chemistry has put 2-Acetylamino-5-thiazolecarboxylic acid methyl ester in the spotlight. Recent studies suggest that thiazole derivatives may play crucial roles in addressing current challenges in drug discovery and crop protection. With the increasing focus on sustainable chemistry and green synthesis methods, this compound's efficient production and modification have become topics of intense research.

From a structural perspective, the presence of both acetyl amino and methyl ester groups in 2-Acetylamino-5-thiazolecarboxylic acid methyl ester makes it particularly versatile for further chemical transformations. These functional groups serve as excellent handles for various synthetic modifications, allowing researchers to create diverse molecular architectures. The compound's thiazole core is especially valuable as this heterocycle is known to contribute to enhanced biological activity in many pharmaceutical agents.

Recent advancements in computational chemistry and AI-assisted drug design have further increased interest in compounds like 2-Acetylamino-5-thiazolecarboxylic acid methyl ester. Researchers are utilizing machine learning algorithms to predict the biological activity of thiazole derivatives, potentially accelerating the discovery of new therapeutic agents. This aligns with current industry trends toward high-throughput screening and rational drug design methodologies.

The synthesis and application of 2-Acetylamino-5-thiazolecarboxylic acid methyl ester also intersect with important discussions about intellectual property in chemical innovation. As companies and research institutions seek to protect their discoveries, understanding the patent landscape surrounding such specialized intermediates becomes crucial. This compound's potential utility in multiple domains makes it particularly interesting from a technology transfer perspective.

Quality control and analytical characterization of 2-Acetylamino-5-thiazolecarboxylic acid methyl ester represent another area of significant research activity. Modern analytical techniques such as HPLC-MS and NMR spectroscopy are routinely employed to ensure the compound's purity and confirm its structural integrity. These quality assurance measures are particularly important given the compound's potential use in pharmaceutical development where stringent regulatory standards apply.

Looking toward future applications, researchers are exploring the potential of 2-Acetylamino-5-thiazolecarboxylic acid methyl ester in emerging fields such as bioconjugation chemistry and materials science. The compound's ability to serve as a versatile intermediate makes it attractive for creating specialized polymers or surface modifications with potential applications in medical devices or diagnostic tools.

From an environmental perspective, the development of more sustainable synthetic routes for 2-Acetylamino-5-thiazolecarboxylic acid methyl ester aligns with global initiatives in green chemistry. Researchers are investigating catalytic methods and alternative solvents that could reduce the environmental impact of producing such valuable chemical intermediates while maintaining high yields and purity.

The commercial availability and scalability of 2-Acetylamino-5-thiazolecarboxylic acid methyl ester production remain important considerations for industrial applications. As demand grows for specialized chemical building blocks, manufacturers are optimizing synthetic protocols to ensure consistent quality at various production scales, from laboratory quantities to potential industrial-scale manufacturing.

In conclusion, 2-Acetylamino-5-thiazolecarboxylic acid methyl ester (CAS No. 1174534-36-1) represents a fascinating example of how specialized organic intermediates can bridge multiple scientific disciplines. Its unique structural features and synthetic versatility continue to make it a valuable tool for researchers across pharmaceutical development, agrochemical innovation, and materials science. As scientific understanding of thiazole chemistry deepens and new synthetic methodologies emerge, the potential applications of this compound are likely to expand further.

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