4-(1-{[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl}azetidin-3-yl)pyridine

• ChemBase ID: 632524
• Molecular Formular: C19H19N3OS
• Molecular Mass: 337.43866
• Monoisotopic Mass: 337.12488324
• SMILES: c1(ncc(s1)CN1CC(C1)c1ccncc1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1ncc(s1)CN1CC(C1)c1ccncc1
• InChI: InChI=1S/C19H19N3OS/c1-23-17-4-2-3-15(9-17)19-21-10-18(24-19)13-22-11-16(12-22)14-5-7-20-8-6-14/h2-10,16H,11-13H2,1H3
• InChIKey: MHXHSFCCCSZLJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl}azetidin-3-yl)pyridine
• IUPAC Traditional name: 4-(1-{[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl}azetidin-3-yl)pyridine
• Synonyms: 4-(1-{[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl}-3-azetidinyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.54086375
• LogD (pH = 7.4): 2.3171396
• Log P: 2.8568637
• Molar Refractivity: 106.4089 cm^3
• Polarizability: 37.678886 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.96
• LOG S: -1.88
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 5