4-{1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-imidazol-2-yl}pyridine

• ChemBase ID: 335947
• Molecular Formular: C19H16N4S
• Molecular Mass: 332.42214
• Monoisotopic Mass: 332.10956753
• SMILES: n1c(csc1CCn1c(ncc1)c1ccncc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1csc(n1)CCn1ccnc1c1ccncc1
• InChI: InChI=1S/C19H16N4S/c1-2-4-15(5-3-1)17-14-24-18(22-17)8-12-23-13-11-21-19(23)16-6-9-20-10-7-16/h1-7,9-11,13-14H,8,12H2
• InChIKey: UDJHEKQGQGRYEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-imidazol-2-yl}pyridine
• IUPAC Traditional name: 4-{1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazol-2-yl}pyridine
• Synonyms: 4-{1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1H-imidazol-2-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0357876
• LogD (pH = 7.4): 3.593358
• Log P: 3.6120706
• Molar Refractivity: 105.4658 cm^3
• Polarizability: 38.382416 Å^3
• Polar Surface Area: 43.6 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: 3.19
• LOG S: -4.35
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 5