2-(4-formylphenoxy)-N-(1,3-thiazol-2-yl)acetamide

• ChemBase ID: 312061
• Molecular Formular: C12H10N2O3S
• Molecular Mass: 262.2844
• Monoisotopic Mass: 262.04121319
• SMILES: c1(NC(=O)COc2ccc(C=O)cc2)nccs1
• Canonical SMILES: O=Cc1ccc(cc1)OCC(=O)Nc1nccs1
• InChI: InChI=1S/C12H10N2O3S/c15-7-9-1-3-10(4-2-9)17-8-11(16)14-12-13-5-6-18-12/h1-7H,8H2,(H,13,14,16)
• InChIKey: MXGHVNKPNQEZPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-formylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: 2-(4-formylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
• Synonyms: 2-(4-formylphenoxy)-N-1,3-thiazol-2-ylacetamide

Database IDs

• CAS Number: 215503-93-8
• MDL Number: MFCD08575597

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7833995
• LogD (pH = 7.4): 1.7830575
• Log P: 1.7834048
• Molar Refractivity: 68.1488 cm^3
• Polarizability: 25.231728 Å^3
• Polar Surface Area: 68.29 Å^2