N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-2-(1,3-thiazol-4-yl)acetamide

• ChemBase ID: 541489
• Molecular Formular: C17H20N2O2S
• Molecular Mass: 316.4179
• Monoisotopic Mass: 316.12454889
• SMILES: C(=O)(Cc1ncsc1)N[C@H]1[C@H](OCc2ccccc2)CCC1
• Canonical SMILES: O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)Cc1ncsc1
• InChI: InChI=1S/C17H20N2O2S/c20-17(9-14-11-22-12-18-14)19-15-7-4-8-16(15)21-10-13-5-2-1-3-6-13/h1-3,5-6,11-12,15-16H,4,7-10H2,(H,19,20)/t15-,16-/m1/s1
• InChIKey: KWBFWQCWCKMYGJ-HZPDHXFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-2-(1,3-thiazol-4-yl)acetamide
• IUPAC Traditional name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-2-(1,3-thiazol-4-yl)acetamide
• Synonyms: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-2-(1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.997671
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7195692
• LogD (pH = 7.4): 2.7197661
• Log P: 2.7197685
• Molar Refractivity: 86.0594 cm^3
• Polarizability: 33.601215 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.42
• LOG S: -2.72
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6