Cas no 1445893-67-3 ((2E)-3-(dimethyl-1,3-thiazol-5-yl)prop-2-enoic acid)

(2E)-3-(Dimethyl-1,3-thiazol-5-yl)prop-2-enoic acid is a thiazole-based unsaturated carboxylic acid derivative characterized by its conjugated double bond and dimethyl-substituted heterocyclic ring. This compound is of interest in medicinal and synthetic chemistry due to its structural motif, which serves as a versatile intermediate for the development of bioactive molecules. The presence of the α,β-unsaturated carbonyl group enhances reactivity, enabling Michael additions or other nucleophilic transformations. Its thiazole core contributes to potential pharmacological activity, particularly in antimicrobial or anti-inflammatory applications. The compound’s well-defined conjugation system may also be exploited in materials science for optoelectronic properties. High purity and stability under standard conditions make it suitable for research and industrial use.
(2E)-3-(dimethyl-1,3-thiazol-5-yl)prop-2-enoic acid structure
1445893-67-3 structure
Product Name:(2E)-3-(dimethyl-1,3-thiazol-5-yl)prop-2-enoic acid
CAS No:1445893-67-3
MF:C8H9NO2S
MW:183.227560758591
CID:6090318
PubChem ID:55255567
Update Time:2025-06-08

(2E)-3-(dimethyl-1,3-thiazol-5-yl)prop-2-enoic acid Chemical and Physical Properties

Names and Identifiers

    • (2E)-3-(dimethyl-1,3-thiazol-5-yl)prop-2-enoic acid
    • EN300-1457132
    • SCHEMBL1124184
    • AKOS006294009
    • 1445893-67-3
    • Inchi: 1S/C8H9NO2S/c1-5-7(3-4-8(10)11)12-6(2)9-5/h3-4H,1-2H3,(H,10,11)/b4-3+
    • InChI Key: NKDMEDQBVUUABQ-ONEGZZNKSA-N
    • SMILES: S1C(C)=NC(C)=C1/C=C/C(=O)O

Computed Properties

  • Exact Mass: 183.03539970g/mol
  • Monoisotopic Mass: 183.03539970g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 205
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 78.4?2

(2E)-3-(dimethyl-1,3-thiazol-5-yl)prop-2-enoic acid Pricemore >>

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