Cas no 885278-63-7 (2-(3,5-Dimethyl-phenyl)-thiazole-4-carboxylic acid ethyl ester)

2-(3,5-Dimethyl-phenyl)-thiazole-4-carboxylic acid ethyl ester is a thiazole-based ester compound with a substituted phenyl group, offering utility as an intermediate in organic synthesis and pharmaceutical research. Its structural features, including the electron-rich dimethylphenyl moiety and the thiazole-carboxylate framework, make it a versatile building block for heterocyclic chemistry. The ethyl ester group enhances solubility in organic solvents, facilitating further functionalization. This compound is particularly valuable in the development of bioactive molecules, such as potential enzyme inhibitors or agrochemicals, due to its rigid aromatic-thiazole core. High purity and consistent quality ensure reliable performance in synthetic applications. Proper handling and storage under inert conditions are recommended to maintain stability.
2-(3,5-Dimethyl-phenyl)-thiazole-4-carboxylic acid ethyl ester structure
885278-63-7 structure
Product Name:2-(3,5-Dimethyl-phenyl)-thiazole-4-carboxylic acid ethyl ester
CAS No:885278-63-7
MF:C14H15NO2S
MW:261.33940243721
MDL:MFCD06738351
CID:711581
PubChem ID:53407328
Update Time:2025-05-28

2-(3,5-Dimethyl-phenyl)-thiazole-4-carboxylic acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazolecarboxylicacid, 2-(3,5-dimethylphenyl)-, ethyl ester
    • 2-(3,5-Dimethyl-phenyl)-thiazole-4-carboxylic acid ethyl ester
    • 2-(3,5-DIMETHYL-PHENYL)THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER,
    • ethyl 2-(3,5-dimethylphenyl)thiazole-4-carboxylate
    • 4-Thiazolecarboxylicacid,2-(3,5-dichlorophenyl)-,ethyl ester
    • W-205393
    • 885278-63-7
    • AB26966
    • AS-40850
    • CS-0319243
    • A861920
    • ethyl 2-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxylate
    • 2-(3,5-dimethylphenyl)thiazole-4-carboxylic acid ethyl ester
    • MFCD06738351
    • 2-(3,5-DIMETHYL-PHENYL)THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
    • DTXSID00695874
    • FT-0727711
    • AKOS017560781
    • ethyl2-(3,5-dimethylphenyl)thiazole-4-carboxylate
    • DB-077765
    • MDL： MFCD06738351
    • Inchi： 1S/C14H15NO2S/c1-4-17-14(16)12-8-18-13(15-12)11-6-9(2)5-10(3)7-11/h5-8H,4H2,1-3H3
    • InChI Key： QXJHMEJCXWUZSD-UHFFFAOYSA-N
    • SMILES： S1C=C(C(=O)OCC)N=C1C1C=C(C)C=C(C)C=1

Computed Properties

  • Exact Mass: 261.08200
  • Monoisotopic Mass: 261.08234989g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 288
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.9
  • Topological Polar Surface Area: 67.4?2

Experimental Properties

  • PSA: 67.43000
  • LogP: 3.60360

2-(3,5-Dimethyl-phenyl)-thiazole-4-carboxylic acid ethyl ester Pricemore >>

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