Cas no 912639-84-0 (4-Thiazolecarboxamide, 2-ethynyl-)

4-Thiazolecarboxamide,  2-ethynyl- structure
912639-84-0 structure
Product Name:4-Thiazolecarboxamide, 2-ethynyl-
CAS No:912639-84-0
MF:C6H4N2OS
MW:152.173759460449
CID:996144
PubChem ID:45121751
Update Time:2025-04-20

4-Thiazolecarboxamide, 2-ethynyl- Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazolecarboxamide, 2-ethynyl-
    • 2-ethynylthiazole-4-carboxamide
    • 912639-84-0
    • SCHEMBL3333662
    • DB-284024
    • 4-THIAZOLECARBOXAMIDE, 2-ETHYNYL-
    • Inchi: 1S/C6H4N2OS/c1-2-5-8-4(3-10-5)6(7)9/h1,3H,(H2,7,9)
    • InChI Key: LBXDWQGVSWLUNJ-UHFFFAOYSA-N
    • SMILES: S1C(C#C)=NC(C(N)=O)=C1

Computed Properties

  • Exact Mass: 152.00443393g/mol
  • Monoisotopic Mass: 152.00443393g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 195
  • 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: 0.4
  • Topological Polar Surface Area: 84.2?2
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