Cas no 73956-19-1 (ethyl 2-cyano-1,3-thiazole-4-carboxylate)

Ethyl 2-cyano-1,3-thiazole-4-carboxylate is a versatile heterocyclic compound featuring a thiazole core functionalized with a cyano group at the 2-position and an ester moiety at the 4-position. This structure imparts reactivity suitable for further derivatization, making it valuable in pharmaceutical and agrochemical synthesis. The electron-withdrawing cyano group enhances electrophilic character, facilitating nucleophilic substitutions, while the ester functionality allows for hydrolysis or transesterification. Its stability under standard conditions and compatibility with common organic solvents ensure ease of handling. The compound serves as a key intermediate in the preparation of thiazole-based bioactive molecules, offering a balance of reactivity and selectivity for heterocyclic chemistry applications.
ethyl 2-cyano-1,3-thiazole-4-carboxylate structure
73956-19-1 structure
Product Name:ethyl 2-cyano-1,3-thiazole-4-carboxylate
CAS No:73956-19-1
MF:C7H6N2O2S
MW:182.199739933014
MDL:MFCD23098759
CID:555053
PubChem ID:45117626
Update Time:2025-05-28

ethyl 2-cyano-1,3-thiazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazolecarboxylicacid, 2-cyano-, ethyl ester
    • 4-Thiazolecarboxylicacid,2-cyano-,ethylester(9CI)
    • ethyl 2-cyano-1,3-thiazole-4-carboxylate
    • CS-0179638
    • ethyl2-cyanothiazole-4-carboxylate
    • ethyl 2-cyanothiazole-4-carboxylate
    • E82199
    • BS-51017
    • SCHEMBL18832382
    • 73956-19-1
    • MDL： MFCD23098759
    • Inchi： 1S/C7H6N2O2S/c1-2-11-7(10)5-4-12-6(3-8)9-5/h4H,2H2,1H3
    • InChI Key： VHLBZJZBQKFRBZ-UHFFFAOYSA-N
    • SMILES： S1C(C#N)=NC(=C1)C(=O)OCC

Computed Properties

  • Exact Mass: 182.015
  • Monoisotopic Mass: 182.015
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • 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
  • Topological Polar Surface Area: 91.2A^2
  • XLogP3: 1.6

ethyl 2-cyano-1,3-thiazole-4-carboxylate Pricemore >>

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