N-(4-formyl-1,3-thiazol-2-yl)-N-methylacetamide

• ChemBase ID: 262672
• Molecular Formular: C7H8N2O2S
• Molecular Mass: 184.21562
• Monoisotopic Mass: 184.03064851
• SMILES: c1(nc(cs1)C=O)N(C(=O)C)C
• Canonical SMILES: O=Cc1csc(n1)N(C(=O)C)C
• InChI: InChI=1S/C7H8N2O2S/c1-5(11)9(2)7-8-6(3-10)4-12-7/h3-4H,1-2H3
• InChIKey: YIVBMSNATMNISG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-formyl-1,3-thiazol-2-yl)-N-methylacetamide
• IUPAC Traditional name: N-(4-formyl-1,3-thiazol-2-yl)-N-methylacetamide
• Synonyms: N-(4-formyl-1,3-thiazol-2-yl)-N-methylacetamide

Database IDs

• MDL Number: MFCD12913221
• PubChem SID: 164318582
• PubChem CID: 45792129

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.80511045
• LogD (pH = 7.4): 0.8051105
• Log P: 0.8051105
• Molar Refractivity: 44.9174 cm^3
• Polarizability: 16.86192 Å^3
• Polar Surface Area: 50.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 166°C
• Hydrophobicity(logP): -0.625

Product Information

• Purity: 95%