1-({4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}methyl)-2-(1,3-thiazol-2-yl)piperidine

• ChemBase ID: 365673
• Molecular Formular: C20H24N4OS
• Molecular Mass: 368.49576
• Monoisotopic Mass: 368.16708241
• SMILES: N1(C(c2nccs2)CCCC1)Cc1ccc(cc1)OCCn1cncc1
• Canonical SMILES: C1CCC(N(C1)Cc1ccc(cc1)OCCn1ccnc1)c1nccs1
• InChI: InChI=1S/C20H24N4OS/c1-2-10-24(19(3-1)20-22-9-14-26-20)15-17-4-6-18(7-5-17)25-13-12-23-11-8-21-16-23/h4-9,11,14,16,19H,1-3,10,12-13,15H2
• InChIKey: IKICTEOSSUWEKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}methyl)-2-(1,3-thiazol-2-yl)piperidine
• IUPAC Traditional name: 1-({4-[2-(imidazol-1-yl)ethoxy]phenyl}methyl)-2-(1,3-thiazol-2-yl)piperidine
• Synonyms: 1-{4-[2-(1H-imidazol-1-yl)ethoxy]benzyl}-2-(1,3-thiazol-2-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9906207
• LogD (pH = 7.4): 2.9197185
• Log P: 3.182653
• Molar Refractivity: 104.0397 cm^3
• Polarizability: 40.226315 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.79
• LOG S: -3.26
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 7