Cas no 761454-63-1 (5-Thiazolecarboxamide,2-chloro-)

5-Thiazolecarboxamide,2-chloro- is a chlorinated thiazole derivative with potential applications in pharmaceutical and agrochemical research. Its structural features, including the reactive chloro substituent and carboxamide functional group, make it a versatile intermediate for synthesizing biologically active compounds. The thiazole core is known for its role in medicinal chemistry, often contributing to enhanced binding affinity and metabolic stability. This compound may serve as a key building block in the development of therapeutics targeting infectious diseases or crop protection agents. Its well-defined chemical properties facilitate precise modifications, enabling researchers to explore structure-activity relationships efficiently. Proper handling under controlled conditions is recommended due to its reactive nature.
5-Thiazolecarboxamide,2-chloro- structure
761454-63-1 structure
Product Name:5-Thiazolecarboxamide,2-chloro-
CAS No:761454-63-1
MF:C4H3ClN2OS
MW:162.597418069839
MDL:MFCD20528132
CID:550129
PubChem ID:53424496
Update Time:2025-06-07

5-Thiazolecarboxamide,2-chloro- Chemical and Physical Properties

Names and Identifiers

    • 5-Thiazolecarboxamide,2-chloro-
    • 2-Chlorothiazole-5-carboxamide
    • 2-chloro-1,3-thiazole-5-carboxamide
    • 2-chloro-5-Thiazolecarboxamide
    • DTXSID70698519
    • AS-6520
    • 761454-63-1
    • QXXORRGGVNFVCV-UHFFFAOYSA-N
    • 2-Chloro-thiazole-5-carboxylic acid amide
    • MFCD20528132
    • SCHEMBL4966007
    • MDL： MFCD20528132
    • Inchi： 1S/C4H3ClN2OS/c5-4-7-1-2(9-4)3(6)8/h1H,(H2,6,8)
    • InChI Key： QXXORRGGVNFVCV-UHFFFAOYSA-N
    • SMILES： ClC1=NC=C(C(N)=O)S1

Computed Properties

  • Exact Mass: 161.96559
  • Monoisotopic Mass: 161.965
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 132
  • 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: 84.2A^2
  • XLogP3: 1.1

Experimental Properties

  • PSA: 55.98

5-Thiazolecarboxamide,2-chloro- Pricemore >>

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