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

• ChemBase ID: 807495
• Molecular Formular: C14H15NO3S
• Molecular Mass: 277.3388
• Monoisotopic Mass: 277.07726435
• SMILES: s1c(ncc1C(=O)OCC)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)c1ncc(s1)C(=O)OCC
• InChI: InChI=1S/C14H15NO3S/c1-3-17-11-7-5-10(6-8-11)13-15-9-12(19-13)14(16)18-4-2/h5-9H,3-4H2,1-2H3
• InChIKey: SJPZOBLILKGIIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3486652
• LogD (pH = 7.4): 3.3486698
• Log P: 3.3486698
• Molar Refractivity: 84.1378 cm^3
• Polarizability: 29.03208 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%