2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyridine

• ChemBase ID: 418012
• Molecular Formular: C14H17N3S
• Molecular Mass: 259.36988
• Monoisotopic Mass: 259.11431856
• SMILES: N1(C(c2ncccc2)CCCC1)Cc1nccs1
• Canonical SMILES: c1ccc(nc1)C1CCCCN1Cc1nccs1
• InChI: InChI=1S/C14H17N3S/c1-3-7-15-12(5-1)13-6-2-4-9-17(13)11-14-16-8-10-18-14/h1,3,5,7-8,10,13H,2,4,6,9,11H2
• InChIKey: LXDNVHKPFZTWTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyridine
• IUPAC Traditional name: 2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyridine
• Synonyms: 2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5613898
• LogD (pH = 7.4): 2.2735057
• Log P: 2.2971969
• Molar Refractivity: 72.9569 cm^3
• Polarizability: 28.639402 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.4
• LOG S: -0.83
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 3