1-(2-benzyl-1,3-thiazole-4-carbonyl)-2-(1,3-thiazol-2-yl)piperidine

• ChemBase ID: 570526
• Molecular Formular: C19H19N3OS2
• Molecular Mass: 369.50366
• Monoisotopic Mass: 369.09695424
• SMILES: c1(C(=O)N2C(c3nccs3)CCCC2)nc(sc1)Cc1ccccc1
• Canonical SMILES: O=C(N1CCCCC1c1nccs1)c1csc(n1)Cc1ccccc1
• InChI: InChI=1S/C19H19N3OS2/c23-19(22-10-5-4-8-16(22)18-20-9-11-24-18)15-13-25-17(21-15)12-14-6-2-1-3-7-14/h1-3,6-7,9,11,13,16H,4-5,8,10,12H2
• InChIKey: GABOTOKZOPOZKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7918746
• LogD (pH = 7.4): 3.7920387
• Log P: 3.7920406
• Molar Refractivity: 99.9641 cm^3
• Polarizability: 38.170696 Å^3
• Polar Surface Area: 46.09 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: 2.49
• LOG S: -4.02
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 4