Cas no 31119-05-8 (4-Thiazoleacetic acid, 2-(acetylamino)-, ethyl ester)

4-Thiazoleacetic acid, 2-(acetylamino)-, ethyl ester structure
31119-05-8 structure
Product Name:4-Thiazoleacetic acid, 2-(acetylamino)-, ethyl ester
CAS No:31119-05-8
MF:C9H12N2O3S
MW:228.268180847168
CID:1452134
PubChem ID:3477732
Update Time:2025-04-20

4-Thiazoleacetic acid, 2-(acetylamino)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazoleacetic acid, 2-(acetylamino)-, ethyl ester
    • ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
    • ethyl 2-(2-acetamidothiazol-4-yl)acetate
    • ethyl 2-(2-acetylaminothiazol-4-yl)acetate
    • (2-ACETYLAMINO-THIAZOL-4-YL)-ACETIC ACID ETHYL ESTER
    • AKOS002984960
    • SCHEMBL6220893
    • 31119-05-8
    • DB-342675
    • DTXSID00392836
    • Ethyl 2-acetylamino-4-thiazoleacetate
    • INGKHJJPHOQNBJ-UHFFFAOYSA-N
    • Inchi: 1S/C9H12N2O3S/c1-3-14-8(13)4-7-5-15-9(11-7)10-6(2)12/h5H,3-4H2,1-2H3,(H,10,11,12)
    • InChI Key: INGKHJJPHOQNBJ-UHFFFAOYSA-N
    • SMILES: S1C=C(CC(=O)OCC)N=C1NC(C)=O

Computed Properties

  • Exact Mass: 228.05696
  • Monoisotopic Mass: 228.05686342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 248
  • 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: 0.7
  • Topological Polar Surface Area: 96.5?2

Experimental Properties

  • PSA: 68.29
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