2-{1-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-yl}pyridine

• ChemBase ID: 656178
• Molecular Formular: C18H14N4S
• Molecular Mass: 318.39556
• Monoisotopic Mass: 318.09391747
• SMILES: n1(c(ncc1)c1ncccc1)Cc1sc(nc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ncc(s1)Cn1ccnc1c1ccccn1
• InChI: InChI=1S/C18H14N4S/c1-2-6-14(7-3-1)18-21-12-15(23-18)13-22-11-10-20-17(22)16-8-4-5-9-19-16/h1-12H,13H2
• InChIKey: PLOMVUQNWLZFKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-yl}pyridine
• IUPAC Traditional name: 2-{1-[(2-phenyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl}pyridine
• Synonyms: 2-{1-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8092093
• LogD (pH = 7.4): 3.811842
• Log P: 3.8118756
• Molar Refractivity: 111.1889 cm^3
• Polarizability: 35.937534 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.22
• LOG S: -4.27
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4