N-methyl-N-(pyridin-2-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine

• ChemBase ID: 834047
• Molecular Formular: C21H24N4S
• Molecular Mass: 364.50706
• Monoisotopic Mass: 364.17216779
• SMILES: N1(c2cc(c3ncsc3)ccc2)CCC(N(Cc2ncccc2)C)CC1
• Canonical SMILES: CN(C1CCN(CC1)c1cccc(c1)c1cscn1)Cc1ccccn1
• InChI: InChI=1S/C21H24N4S/c1-24(14-18-6-2-3-10-22-18)19-8-11-25(12-9-19)20-7-4-5-17(13-20)21-15-26-16-23-21/h2-7,10,13,15-16,19H,8-9,11-12,14H2,1H3
• InChIKey: LJTLFMRGULQZJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(pyridin-2-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
• IUPAC Traditional name: N-methyl-N-(pyridin-2-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
• Synonyms: N-methyl-N-(pyridin-2-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.84293824
• LogD (pH = 7.4): 2.6187937
• Log P: 3.3882368
• Molar Refractivity: 107.8438 cm^3
• Polarizability: 42.604893 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.22
• LOG S: -2.3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 6