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

• ChemBase ID: 618963
• Molecular Formular: C18H22N4OS2
• Molecular Mass: 374.52348
• Monoisotopic Mass: 374.12350334
• SMILES: c1(n(ccn1)C)C(C1CCN(Cc2nc(sc2)c2sccc2)CC1)O
• Canonical SMILES: OC(c1nccn1C)C1CCN(CC1)Cc1csc(n1)c1cccs1
• InChI: InChI=1S/C18H22N4OS2/c1-21-9-6-19-17(21)16(23)13-4-7-22(8-5-13)11-14-12-25-18(20-14)15-3-2-10-24-15/h2-3,6,9-10,12-13,16,23H,4-5,7-8,11H2,1H3
• InChIKey: KFUMJBZFQKPSHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.328707
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.60858977
• LogD (pH = 7.4): 2.2078474
• Log P: 2.3502877
• Molar Refractivity: 111.3571 cm^3
• Polarizability: 39.53515 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: 5
• H Donor: 1
• Log P: 1.53
• LOG S: -3.83
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 5