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

• ChemBase ID: 814161
• Molecular Formular: C7H9NO3S
• Molecular Mass: 187.21626
• Monoisotopic Mass: 187.03031415
• SMILES: s1c(ncc1C(=O)OCC)OC
• Canonical SMILES: CCOC(=O)c1cnc(s1)OC
• InChI: InChI=1S/C7H9NO3S/c1-3-11-6(9)5-4-8-7(10-2)12-5/h4H,3H2,1-2H3
• InChIKey: HLZAUQHGQCMZBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196154-06-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6513417
• LogD (pH = 7.4): 1.6513417
• Log P: 1.6513417
• Molar Refractivity: 43.7609 cm^3
• Polarizability: 17.055977 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%