{2-[3-(1-benzyl-1H-imidazol-2-yl)piperidin-1-yl]-1,3-thiazol-4-yl}methanol

• ChemBase ID: 689754
• Molecular Formular: C19H22N4OS
• Molecular Mass: 354.46918
• Monoisotopic Mass: 354.15143234
• SMILES: c1(nc(cs1)CO)N1CC(c2n(ccn2)Cc2ccccc2)CCC1
• Canonical SMILES: OCc1csc(n1)N1CCCC(C1)c1nccn1Cc1ccccc1
• InChI: InChI=1S/C19H22N4OS/c24-13-17-14-25-19(21-17)23-9-4-7-16(12-23)18-20-8-10-22(18)11-15-5-2-1-3-6-15/h1-3,5-6,8,10,14,16,24H,4,7,9,11-13H2
• InChIKey: QUASBFPJHKDXBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[3-(1-benzyl-1H-imidazol-2-yl)piperidin-1-yl]-1,3-thiazol-4-yl}methanol
• IUPAC Traditional name: {2-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1,3-thiazol-4-yl}methanol
• Synonyms: {2-[3-(1-benzyl-1H-imidazol-2-yl)-1-piperidinyl]-1,3-thiazol-4-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.990124
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1986134
• LogD (pH = 7.4): 3.0127027
• Log P: 3.1168082
• Molar Refractivity: 100.009 cm^3
• Polarizability: 37.860023 Å^3
• Polar Surface Area: 54.18 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: 1.09
• LOG S: -2.71
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 5