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

• ChemBase ID: 807501
• Molecular Formular: C14H15NO3S
• Molecular Mass: 277.3388
• Monoisotopic Mass: 277.07726435
• SMILES: s1c(ncc1C(=O)OCC)c1cc(c(cc1)C)OC
• Canonical SMILES: CCOC(=O)c1cnc(s1)c1ccc(c(c1)OC)C
• InChI: InChI=1S/C14H15NO3S/c1-4-18-14(16)12-8-15-13(19-12)10-6-5-9(2)11(7-10)17-3/h5-8H,4H2,1-3H3
• InChIKey: QUBJYOANUZDEMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5052793
• LogD (pH = 7.4): 3.5052834
• Log P: 3.5052834
• Molar Refractivity: 84.4304 cm^3
• Polarizability: 28.95946 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%