Cas no 19691-98-6 (Pentanoic acid,3,3-dimethyl-5-oxo-5-(2-thiazolylamino)-)

Pentanoic acid,3,3-dimethyl-5-oxo-5-(2-thiazolylamino)- structure
19691-98-6 structure
Product Name:Pentanoic acid,3,3-dimethyl-5-oxo-5-(2-thiazolylamino)-
CAS No:19691-98-6
MF:C10H14N2O3S
MW:242.294761180878
CID:233312
PubChem ID:262223
Update Time:2025-04-19

Pentanoic acid,3,3-dimethyl-5-oxo-5-(2-thiazolylamino)- Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid,3,3-dimethyl-5-oxo-5-(2-thiazolylamino)-
    • 3,3-dimethyl-5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid
    • 3,3-dimethyl-4-thiazol-2-ylcarbamoyl-butyric acid
    • AC1L670O
    • AC1Q5NY7
    • AR-1E8717
    • CTK4E2063
    • N-< Thiazolyl-(2)> -3,3-dimethyl-glutarsaeure-monoamid
    • NCIOpen2_006076
    • NSC95661
    • DTXSID80294263
    • NSC-95661
    • 19691-98-6
    • Z1041171290
    • AKOS012232370
    • Inchi: 1S/C10H14N2O3S/c1-10(2,6-8(14)15)5-7(13)12-9-11-3-4-16-9/h3-4H,5-6H2,1-2H3,(H,14,15)(H,11,12,13)
    • InChI Key: NCGGHZVDGJKZGW-UHFFFAOYSA-N
    • SMILES: S1C=CN=C1NC(CC(C)(C)CC(=O)O)=O

Computed Properties

  • Exact Mass: 242.07262
  • Monoisotopic Mass: 242.07251349g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 281
  • 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: 1.4
  • Topological Polar Surface Area: 108?2

Experimental Properties

  • PSA: 79.29
  • LogP: 2.04560
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