N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-2-(thiophen-2-yl)acetamide

• ChemBase ID: 757078
• Molecular Formular: C11H10N2O2S2
• Molecular Mass: 266.3393
• Monoisotopic Mass: 266.01836957
• SMILES: C(=O)(C(=O)NCc1nc(sc1)C)c1sccc1
• Canonical SMILES: Cc1scc(n1)CNC(=O)C(=O)c1cccs1
• InChI: InChI=1S/C11H10N2O2S2/c1-7-13-8(6-17-7)5-12-11(15)10(14)9-3-2-4-16-9/h2-4,6H,5H2,1H3,(H,12,15)
• InChIKey: DHZUQPWCJOPALO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-2-(thiophen-2-yl)acetamide
• IUPAC Traditional name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-2-(thiophen-2-yl)acetamide
• Synonyms: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-2-(2-thienyl)acetamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 65.604 cm^3
• Polarizability: 25.016472 Å^3
• Polar Surface Area: 59.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 11.152148
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4069102
• LogD (pH = 7.4): 1.4078242
• Log P: 1.4079049

供应商提供(Chembridge)

• Polar Surface Area: 59.06 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1
• Log P: 0.9
• LOG S: -1.91