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

• ChemBase ID: 275213
• Molecular Formular: C9H10N2O2S
• Molecular Mass: 210.2529
• Monoisotopic Mass: 210.04629857
• SMILES: c1(N(C2CC2)C(=O)C)nc(cs1)C=O
• Canonical SMILES: O=Cc1csc(n1)N(C1CC1)C(=O)C
• InChI: InChI=1S/C9H10N2O2S/c1-6(13)11(8-2-3-8)9-10-7(4-12)5-14-9/h4-5,8H,2-3H2,1H3
• InChIKey: JKWPJSMCAWSTDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18917293
• PubChem SID: 164331123
• PubChem CID: 54593583

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.2706751
• Log P: 1.2706751
• Molar Refractivity: 52.1286 cm^3
• Polarizability: 19.797144 Å^3
• Polar Surface Area: 50.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2706751

PROPERTIES

Physical Property

• Melting Point: 112 - 114°C
• Hydrophobicity(logP): -0.041

Product Information

• Purity: 95%