N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(propan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 497583
• Molecular Formular: C24H34N4OS
• Molecular Mass: 426.61796
• Monoisotopic Mass: 426.24533273
• SMILES: c1(nc(sc1)C(C)C)C(=O)N(Cc1cnccc1)CC1CCN(CC1)C1CCCC1
• Canonical SMILES: O=C(c1csc(n1)C(C)C)N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C24H34N4OS/c1-18(2)23-26-22(17-30-23)24(29)28(16-20-6-5-11-25-14-20)15-19-9-12-27(13-10-19)21-7-3-4-8-21/h5-6,11,14,17-19,21H,3-4,7-10,12-13,15-16H2,1-2H3
• InChIKey: RPYOGSGOAXASSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(propan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-isopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
• Synonyms: N-[(1-cyclopentyl-4-piperidinyl)methyl]-2-isopropyl-N-(3-pyridinylmethyl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5045501
• LogD (pH = 7.4): 1.5297893
• Log P: 4.031378
• Molar Refractivity: 122.5463 cm^3
• Polarizability: 47.251404 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.34
• LOG S: -3.75
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 6