ethyl 2-methoxy-4-methyl-1,3-thiazole-5-carboxylate

• ChemBase ID: 814160
• Molecular Formular: C8H11NO3S
• Molecular Mass: 201.24284
• Monoisotopic Mass: 201.04596422
• SMILES: s1c(nc(c1C(=O)OCC)C)OC
• Canonical SMILES: CCOC(=O)c1sc(nc1C)OC
• InChI: InChI=1S/C8H11NO3S/c1-4-12-7(10)6-5(2)9-8(11-3)13-6/h4H2,1-3H3
• InChIKey: IQIVPHXCGDDSIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-methoxy-4-methyl-1,3-thiazole-5-carboxylate
• IUPAC Traditional name: ethyl 2-methoxy-4-methyl-1,3-thiazole-5-carboxylate
• Synonyms: ethyl 2-methoxy-4-methylthiazole-5-carboxylate

Database IDs

• CAS Number: 156498-60-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7827119
• LogD (pH = 7.4): 1.7827119
• Log P: 1.7827119
• Molar Refractivity: 48.3524 cm^3
• Polarizability: 18.79481 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%