1-cyclopentanecarbonyl-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 625182
• Molecular Formular: C18H24N4OS
• Molecular Mass: 344.47436
• Monoisotopic Mass: 344.16708241
• SMILES: n1(c(ncc1)C1CCN(C(=O)C2CCCC2)CC1)Cc1ncsc1
• Canonical SMILES: O=C(N1CCC(CC1)c1nccn1Cc1cscn1)C1CCCC1
• InChI: InChI=1S/C18H24N4OS/c23-18(15-3-1-2-4-15)21-8-5-14(6-9-21)17-19-7-10-22(17)11-16-12-24-13-20-16/h7,10,12-15H,1-6,8-9,11H2
• InChIKey: PPKJKYMMGBESDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentanecarbonyl-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 1-cyclopentanecarbonyl-4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine
• Synonyms: 1-(cyclopentylcarbonyl)-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3936481
• LogD (pH = 7.4): 2.021315
• Log P: 2.0487082
• Molar Refractivity: 94.2477 cm^3
• Polarizability: 36.290646 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.36
• LOG S: -2.87
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4