4-{[5-(1-ethylpiperidin-3-yl)-4-phenyl-1H-imidazol-1-yl]methyl}-1,3-thiazol-2-amine

• ChemBase ID: 721127
• Molecular Formular: C20H25N5S
• Molecular Mass: 367.511
• Monoisotopic Mass: 367.18306683
• SMILES: n1(c(c(nc1)c1ccccc1)C1CN(CCC1)CC)Cc1nc(sc1)N
• Canonical SMILES: CCN1CCCC(C1)c1n(cnc1c1ccccc1)Cc1csc(n1)N
• InChI: InChI=1S/C20H25N5S/c1-2-24-10-6-9-16(11-24)19-18(15-7-4-3-5-8-15)22-14-25(19)12-17-13-26-20(21)23-17/h3-5,7-8,13-14,16H,2,6,9-12H2,1H3,(H2,21,23)
• InChIKey: CSVZPXFRQSNGLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.816854
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.46601722
• LogD (pH = 7.4): 1.314767
• Log P: 3.1601143
• Molar Refractivity: 107.4662 cm^3
• Polarizability: 41.964718 Å^3
• Polar Surface Area: 59.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.97
• LOG S: -3.4
• Polar Surface Area: 59.97 Å^2
• Rotatable Bonds: 5