ethyl 2-(4-ethylphenyl)-1,3-thiazole-5-carboxylate

• ChemBase ID: 807493
• Molecular Formular: C14H15NO2S
• Molecular Mass: 261.3394
• Monoisotopic Mass: 261.08234973
• SMILES: s1c(ncc1C(=O)OCC)c1ccc(cc1)CC
• Canonical SMILES: CCOC(=O)c1cnc(s1)c1ccc(cc1)CC
• InChI: InChI=1S/C14H15NO2S/c1-3-10-5-7-11(8-6-10)13-15-9-12(18-13)14(16)17-4-2/h5-9H,3-4H2,1-2H3
• InChIKey: MOSBASZXUOXDKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-ethylphenyl)-1,3-thiazole-5-carboxylate
• IUPAC Traditional name: ethyl 2-(4-ethylphenyl)-1,3-thiazole-5-carboxylate
• Synonyms: 2-(4-ETHYLPHENYL)-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1075187
• LogD (pH = 7.4): 4.107523
• Log P: 4.1075234
• Molar Refractivity: 82.5682 cm^3
• Polarizability: 28.268799 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%