Cas no 1368187-44-3 (1-(5-Methylthiazol-4-yl)ethanone)

1-(5-Methylthiazol-4-yl)ethanone is a heterocyclic organic compound featuring a thiazole core substituted with a methyl group at the 5-position and an acetyl group at the 4-position. This structure imparts reactivity suitable for use as a versatile intermediate in pharmaceutical and agrochemical synthesis. Its well-defined molecular framework allows for precise functionalization, making it valuable in the development of biologically active compounds. The compound exhibits stability under standard handling conditions and is compatible with a range of synthetic transformations, including nucleophilic substitutions and condensations. Its purity and consistent performance make it a reliable choice for research and industrial applications requiring tailored thiazole derivatives.
1-(5-Methylthiazol-4-yl)ethanone structure
1368187-44-3 structure
Product Name:1-(5-Methylthiazol-4-yl)ethanone
CAS No:1368187-44-3
MF:C6H7NOS
MW:141.190880060196
MDL:MFCD22070864
CID:1091221
PubChem ID:23321332
Update Time:2025-06-13

1-(5-Methylthiazol-4-yl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(5-Methylthiazol-4-yl)ethanone
    • 1-(5-methyl-1,3-thiazol-4-yl)ethanone
    • 1-(5-methyl-1,3-thiazol-4-yl)ethan-1-one
    • 1-(5-methylthiazol-4-yl)ethan-1-one
    • AK144948
    • C72473
    • AKOS022176849
    • 1368187-44-3
    • SCHEMBL10856198
    • A905962
    • DS-7977
    • DB-146672
    • CS-0196717
    • MDL: MFCD22070864
    • Inchi: 1S/C6H7NOS/c1-4(8)6-5(2)9-3-7-6/h3H,1-2H3
    • InChI Key: UFXXGLKLMLAWDQ-UHFFFAOYSA-N
    • SMILES: S1C=NC(C(C)=O)=C1C

Computed Properties

  • Exact Mass: 141.02483502g/mol
  • Monoisotopic Mass: 141.02483502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • 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: 58.2
  • XLogP3: 1.4

Experimental Properties

  • Boiling Point: 228.6±20.0°C at 760 mmHg

1-(5-Methylthiazol-4-yl)ethanone Security Information

1-(5-Methylthiazol-4-yl)ethanone Pricemore >>

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Additional information on 1-(5-Methylthiazol-4-yl)ethanone

Comprehensive Overview of 1-(5-Methylthiazol-4-yl)ethanone (CAS No. 1368187-44-3): Properties, Applications, and Industry Insights

1-(5-Methylthiazol-4-yl)ethanone, identified by its CAS No. 1368187-44-3, is a specialized organic compound featuring a thiazole backbone with a methyl substitution at the 5-position and an acetyl functional group at the 4-position. This structural configuration endows the molecule with unique reactivity, making it a valuable intermediate in pharmaceutical synthesis, agrochemical development, and material science. The compound’s heterocyclic nature aligns with contemporary research trends targeting bioactive scaffolds, particularly in drug discovery for metabolic disorders and antimicrobial agents.

In recent years, the demand for thiazole derivatives like 1-(5-Methylthiazol-4-yl)ethanone has surged due to their versatility in medicinal chemistry. A 2023 study highlighted thiazoles as key motifs in kinase inhibitors and GPCR modulators, addressing prevalent health concerns such as diabetes and neurodegenerative diseases. The compound’s electron-rich structure also facilitates its use in catalysis and photovoltaic materials, resonating with the global push for sustainable energy solutions.

From a synthetic perspective, CAS 1368187-44-3 is typically prepared via cyclocondensation reactions between α-haloketones and thioamides, followed by selective acetylation. Its melting point (reported range: 92–94°C) and solubility in polar solvents like DMSO enhance its utility in laboratory-scale applications. Researchers frequently query “thiazole synthesis optimization” or “acetylthiazole applications”—topics reflecting the compound’s relevance in industrial R&D.

The agrochemical sector leverages 1-(5-Methylthiazol-4-yl)ethanone as a precursor for crop protection agents, capitalizing on thiazoles’ innate bioactivity against plant pathogens. With rising interest in precision agriculture, this compound’s role in developing low-residue pesticides aligns with EU Green Deal objectives. Notably, its metabolic stability and low ecotoxicity profile make it a candidate for next-generation formulations.

Analytical characterization of 1368187-44-3 relies on advanced techniques such as HPLC-MS and NMR spectroscopy, with purity thresholds exceeding 98% for pharmaceutical-grade batches. Quality control protocols often reference “thiazole impurity profiling”—a frequent search term among QA specialists. Regulatory compliance, including REACH and ICH guidelines, further underscores its safe handling in GMP environments.

Emerging applications include organic electronics, where the compound’s conjugated system contributes to charge transport in OLEDs. Startups exploring flexible displays have patented thiazole-based materials, driving niche market growth. Concurrently, machine learning-assisted molecular design has identified 1-(5-Methylthiazol-4-yl)ethanone as a potential building block for self-healing polymers—a hot topic in materials science forums.

Supply chain dynamics reveal that CAS 1368187-44-3 is predominantly sourced from specialized fine chemical manufacturers in Europe and Asia, with pricing influenced by raw material volatility. Industry reports correlate demand spikes with patent filings for EGFR inhibitors and antifungal coatings, reflecting its cross-sector appeal.

In conclusion, 1-(5-Methylthiazol-4-yl)ethanone exemplifies the convergence of structural ingenuity and multidisciplinary utility. Its evolving applications—from biopharmaceuticals to smart materials—position it as a compound of enduring scientific and commercial significance, warranting continued exploration in peer-reviewed studies and industrial innovation pipelines.

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