4-{1-[(dimethyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-yl}pyridine

• ChemBase ID: 848975
• Molecular Formular: C14H14N4S
• Molecular Mass: 270.35276
• Monoisotopic Mass: 270.09391747
• SMILES: c1(sc(nc1C)C)Cn1c(ncc1)c1ccncc1
• Canonical SMILES: Cc1nc(c(s1)Cn1ccnc1c1ccncc1)C
• InChI: InChI=1S/C14H14N4S/c1-10-13(19-11(2)17-10)9-18-8-7-16-14(18)12-3-5-15-6-4-12/h3-8H,9H2,1-2H3
• InChIKey: DJGVTWAYJQSXKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[(dimethyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-yl}pyridine
• IUPAC Traditional name: 4-{1-[(dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl}pyridine
• Synonyms: 4-{1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0958352
• LogD (pH = 7.4): 1.6384434
• Log P: 1.65569
• Molar Refractivity: 85.4915 cm^3
• Polarizability: 29.15289 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.36
• LOG S: -2.33
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3