N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

• ChemBase ID: 622062
• Molecular Formular: C19H20N4O2S
• Molecular Mass: 368.4527
• Monoisotopic Mass: 368.1306969
• SMILES: C(=O)(N1CC(OCc2cnccc2)CCC1)Nc1cc2ncsc2cc1
• Canonical SMILES: O=C(N1CCCC(C1)OCc1cccnc1)Nc1ccc2c(c1)ncs2
• InChI: InChI=1S/C19H20N4O2S/c24-19(22-15-5-6-18-17(9-15)21-13-26-18)23-8-2-4-16(11-23)25-12-14-3-1-7-20-10-14/h1,3,5-7,9-10,13,16H,2,4,8,11-12H2,(H,22,24)
• InChIKey: SRMPIOZEZMFOGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
• IUPAC Traditional name: N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
• Synonyms: N-1,3-benzothiazol-5-yl-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.885949
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3300889
• LogD (pH = 7.4): 2.38955
• Log P: 2.3903785
• Molar Refractivity: 101.1722 cm^3
• Polarizability: 39.497677 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.37
• LOG S: -1.76
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 4