Cas no 100377-67-1 (4-(Thiazol-2-ylcarbamoyl)-butyric acid)

4-(Thiazol-2-ylcarbamoyl)-butyric acid structure
100377-67-1 structure
Product Name:4-(Thiazol-2-ylcarbamoyl)-butyric acid
CAS No:100377-67-1
MF:C8H10N2O3S
MW:214.241600513458
CID:1073590
PubChem ID:719801
Update Time:2025-08-05

4-(Thiazol-2-ylcarbamoyl)-butyric acid Chemical and Physical Properties

Names and Identifiers

    • 4-(Thiazol-2-ylcarbamoyl)-butyric acid
    • 5-Oxo-5-(2-thiazolylamino)pentanoic acid
    • AKOS000301104
    • 5-oxo-5-(thiazol-2-ylamino)pentanoicacid
    • Oprea1_764586
    • HMS1557O09
    • EU-0043749
    • Oprea1_402267
    • TimTec1_008413
    • N-(2-THIAZOLYL)GLUTARAMIC ACID
    • Cambridge id 5133958
    • 4-(thiazol-2-ylcarbamoyl)butyric acid
    • SR-01000396377-1
    • 5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid
    • STK731739
    • SDCCGMLS-0065513.P001
    • DTXSID80352130
    • F0777-0657
    • 100377-67-1
    • SR-01000396377
    • SCHEMBL5849464
    • CCG-110804
    • CS-0321578
    • 5-oxo-5-(thiazol-2-ylamino)pentanoic acid
    • DB-140014
    • Z57705681
    • 4-[(1,3-thiazol-2-yl)carbamoyl]butanoic acid
    • MDL： MFCD00030450
    • Inchi： 1S/C8H10N2O3S/c11-6(2-1-3-7(12)13)10-8-9-4-5-14-8/h4-5H,1-3H2,(H,12,13)(H,9,10,11)
    • InChI Key： KIGCPAJFAFXJHS-UHFFFAOYSA-N
    • SMILES： S1C=CN=C1NC(CCCC(=O)O)=O

Computed Properties

  • Exact Mass: 214.0413
  • Monoisotopic Mass: 214.04121336g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 223
  • 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: 0.5
  • Topological Polar Surface Area: 108?2

Experimental Properties

  • PSA: 79.29

4-(Thiazol-2-ylcarbamoyl)-butyric acid Security Information

  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

4-(Thiazol-2-ylcarbamoyl)-butyric acid Pricemore >>

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