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

• ChemBase ID: 807467
• Molecular Formular: C14H15NO3S
• Molecular Mass: 277.3388
• Monoisotopic Mass: 277.07726435
• SMILES: s1c(nc(c1)C(=O)OCC)c1c(cc(cc1)C)OC
• Canonical SMILES: CCOC(=O)c1csc(n1)c1ccc(cc1OC)C
• InChI: InChI=1S/C14H15NO3S/c1-4-18-14(16)11-8-19-13(15-11)10-6-5-9(2)7-12(10)17-3/h5-8H,4H2,1-3H3
• InChIKey: CYBDHHZOWMBFCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5586936
• LogD (pH = 7.4): 3.5586941
• Log P: 3.5586941
• Molar Refractivity: 84.2743 cm^3
• Polarizability: 28.958633 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%