2-methyl-6-{3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}pyridine

• ChemBase ID: 467054
• Molecular Formular: C19H21N5OS
• Molecular Mass: 367.46794
• Monoisotopic Mass: 367.14668132
• SMILES: c1(n(Cc2ncsc2)ccn1)C1CN(C(=O)c2nc(ccc2)C)CCC1
• Canonical SMILES: Cc1cccc(n1)C(=O)N1CCCC(C1)c1nccn1Cc1cscn1
• InChI: InChI=1S/C19H21N5OS/c1-14-4-2-6-17(22-14)19(25)24-8-3-5-15(10-24)18-20-7-9-23(18)11-16-12-26-13-21-16/h2,4,6-7,9,12-13,15H,3,5,8,10-11H2,1H3
• InChIKey: OCDFBYOSTIZXQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-{3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}pyridine
• IUPAC Traditional name: 2-methyl-6-{3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl}pyridine
• Synonyms: 2-methyl-6-({3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0482619
• LogD (pH = 7.4): 1.6635736
• Log P: 1.6894045
• Molar Refractivity: 100.2256 cm^3
• Polarizability: 38.067142 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.2
• LOG S: -3.36
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 4