1-(2-benzyl-1,3-thiazole-4-carbonyl)-3-(1-ethyl-1H-imidazol-2-yl)piperidine

• ChemBase ID: 609182
• Molecular Formular: C21H24N4OS
• Molecular Mass: 380.50646
• Monoisotopic Mass: 380.16708241
• SMILES: c1(nc(sc1)Cc1ccccc1)C(=O)N1CC(c2n(ccn2)CC)CCC1
• Canonical SMILES: CCn1ccnc1C1CCCN(C1)C(=O)c1csc(n1)Cc1ccccc1
• InChI: InChI=1S/C21H24N4OS/c1-2-24-12-10-22-20(24)17-9-6-11-25(14-17)21(26)18-15-27-19(23-18)13-16-7-4-3-5-8-16/h3-5,7-8,10,12,15,17H,2,6,9,11,13-14H2,1H3
• InChIKey: IOPYDJKCVCXADD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-benzyl-1,3-thiazole-4-carbonyl)-3-(1-ethyl-1H-imidazol-2-yl)piperidine
• IUPAC Traditional name: 1-(2-benzyl-1,3-thiazole-4-carbonyl)-3-(1-ethylimidazol-2-yl)piperidine
• Synonyms: 1-[(2-benzyl-1,3-thiazol-4-yl)carbonyl]-3-(1-ethyl-1H-imidazol-2-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6151545
• LogD (pH = 7.4): 3.2549229
• Log P: 3.2839742
• Molar Refractivity: 107.6118 cm^3
• Polarizability: 40.794716 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.75
• LOG S: -3.47
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5