Cas no 1526677-49-5 (3-(4-methyl-1,3-thiazol-5-yl)butanoic acid)

3-(4-Methyl-1,3-thiazol-5-yl)butanoic acid is a heterocyclic carboxylic acid derivative featuring a thiazole ring substituted with a methyl group at the 4-position and a butanoic acid side chain at the 5-position. This compound is of interest in medicinal chemistry and organic synthesis due to its structural versatility, serving as a key intermediate in the development of biologically active molecules. The thiazole moiety imparts potential pharmacological relevance, while the carboxylic acid functionality allows for further derivatization. Its well-defined molecular structure ensures consistency in synthetic applications, making it a valuable building block for researchers exploring novel compounds with therapeutic or material science applications.
3-(4-methyl-1,3-thiazol-5-yl)butanoic acid structure
1526677-49-5 structure
Product Name:3-(4-methyl-1,3-thiazol-5-yl)butanoic acid
CAS No:1526677-49-5
MF:C8H11NO2S
MW:185.24344086647
CID:5912321
PubChem ID:82602166
Update Time:2025-10-17

3-(4-methyl-1,3-thiazol-5-yl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(4-methyl-1,3-thiazol-5-yl)butanoic acid
    • 1526677-49-5
    • EN300-1757812
    • Inchi: 1S/C8H11NO2S/c1-5(3-7(10)11)8-6(2)9-4-12-8/h4-5H,3H2,1-2H3,(H,10,11)
    • InChI Key: HEFFGAUQSZXXHV-UHFFFAOYSA-N
    • SMILES: S1C=NC(C)=C1C(C)CC(=O)O

Computed Properties

  • Exact Mass: 185.05104977g/mol
  • Monoisotopic Mass: 185.05104977g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 174
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 78.4?2

3-(4-methyl-1,3-thiazol-5-yl)butanoic acid Pricemore >>

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