Cas no 106613-45-0 (1-(1,3-thiazol-5-yl)propan-2-one)

1-(1,3-Thiazol-5-yl)propan-2-one is a heterocyclic organic compound featuring a thiazole ring linked to a propan-2-one moiety. This structure imparts unique reactivity and functional versatility, making it valuable in synthetic chemistry, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. The thiazole ring contributes to its stability and potential bioactivity, while the ketone group offers a reactive site for further derivatization. Its well-defined molecular framework allows for precise modifications, facilitating its use as a key intermediate in complex organic syntheses. The compound's compatibility with various reaction conditions enhances its utility in research and industrial applications.
1-(1,3-thiazol-5-yl)propan-2-one structure
106613-45-0 structure
Product Name:1-(1,3-thiazol-5-yl)propan-2-one
CAS No:106613-45-0
MF:C6H7NOS
MW:141.190880060196
MDL:MFCD18815884
CID:127238
PubChem ID:15594633
Update Time:2025-06-08

1-(1,3-thiazol-5-yl)propan-2-one Chemical and Physical Properties

Names and Identifiers

    • 2-Propanone,1-(5-thiazolyl)-
    • 2-Propanone, 1-(5-thiazolyl)- (9CI)
    • 1-(1,3-thiazol-5-yl)propan-2-one
    • 106613-45-0
    • EN300-1859838
    • 2-Propanone,1-(5-thiazolyl)-(9ci)
    • SCHEMBL16892250
    • MDL: MFCD18815884
    • Inchi: 1S/C6H7NOS/c1-5(8)2-6-3-7-4-9-6/h3-4H,2H2,1H3
    • InChI Key: ALZGTEGVQIFGGR-UHFFFAOYSA-N
    • SMILES: S1C=NC=C1CC(C)=O

Computed Properties

  • Exact Mass: 141.02491
  • 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: 2
  • Complexity: 116
  • 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: 58.2?2

Experimental Properties

  • PSA: 29.96

1-(1,3-thiazol-5-yl)propan-2-one Pricemore >>

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Additional information on 1-(1,3-thiazol-5-yl)propan-2-one

Comprehensive Overview of 1-(1,3-thiazol-5-yl)propan-2-one (CAS No. 106613-45-0): Properties, Applications, and Industry Insights

1-(1,3-thiazol-5-yl)propan-2-one (CAS No. 106613-45-0) is a specialized organic compound featuring a thiazole ring linked to a propan-2-one moiety. This unique structure grants it versatile chemical properties, making it valuable in pharmaceutical research, agrochemical development, and material science. With the rising demand for heterocyclic compounds in drug discovery, this molecule has garnered attention for its potential as a bioactive scaffold or intermediate in synthesizing complex molecules.

The compound’s thiazole core is a hallmark of its reactivity, often associated with antimicrobial and anti-inflammatory activities. Researchers exploring small-molecule therapeutics frequently investigate derivatives of 1-(1,3-thiazol-5-yl)propan-2-one due to its ability to modulate biological pathways. Recent studies highlight its relevance in targeting enzyme inhibitors and receptor agonists, aligning with trends in personalized medicine and precision chemistry.

From an industrial perspective, CAS No. 106613-45-0 is synthesized through controlled reactions involving thiazole derivatives and ketone precursors. Its purity and stability are critical for applications in high-throughput screening and catalysis. Manufacturers emphasize GMP-compliant production to meet the stringent requirements of the pharmaceutical and biotech sectors, where traceability and reproducibility are paramount.

Environmental and safety profiles of 1-(1,3-thiazol-5-yl)propan-2-one are rigorously evaluated. While not classified as hazardous under standard guidelines, proper handling protocols are recommended to ensure workplace safety. The compound’s low ecotoxicity and biodegradability align with the growing emphasis on green chemistry principles, a key concern for modern chemical enterprises.

Innovations in computational chemistry have enabled predictive modeling of this compound’s behavior, reducing experimental bottlenecks. Tools like molecular docking and QSAR analysis help researchers optimize its derivatives for specific applications, such as drug delivery systems or functional materials. This synergy between AI-driven design and traditional synthesis accelerates R&D cycles.

Market analysts note increasing patent filings related to thiazole-containing compounds, reflecting their commercial potential. As industries pivot toward sustainable synthesis methods, CAS No. 106613-45-0 exemplifies how niche intermediates can drive innovation in life sciences and beyond. Its role in next-generation therapeutics and smart materials continues to expand, fueled by interdisciplinary collaboration.

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