N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

• ChemBase ID: 842392
• Molecular Formular: C19H24N2O2S
• Molecular Mass: 344.47106
• Monoisotopic Mass: 344.15584902
• SMILES: n1c(c(sc1)CCC(=O)N[C@H]1[C@H](OCc2ccccc2)CCC1)C
• Canonical SMILES: O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)CCc1scnc1C
• InChI: InChI=1S/C19H24N2O2S/c1-14-18(24-13-20-14)10-11-19(22)21-16-8-5-9-17(16)23-12-15-6-3-2-4-7-15/h2-4,6-7,13,16-17H,5,8-12H2,1H3,(H,21,22)/t16-,17-/m1/s1
• InChIKey: MQHIIHRCBHDDNU-IAGOWNOFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
• IUPAC Traditional name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
• Synonyms: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.321962
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.041963
• LogD (pH = 7.4): 3.0422924
• Log P: 3.0422964
• Molar Refractivity: 95.562 cm^3
• Polarizability: 37.19733 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.41
• LOG S: -3.77
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 7