1-(4-fluorophenyl)-4-[1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-3-yl]piperazine

• ChemBase ID: 685720
• Molecular Formular: C22H28FN5S
• Molecular Mass: 413.5546232
• Monoisotopic Mass: 413.20494514
• SMILES: c12n(c(c(n1)C)CN1CC(N3CCN(c4ccc(cc4)F)CC3)CCC1)ccs2
• Canonical SMILES: Fc1ccc(cc1)N1CCN(CC1)C1CCCN(C1)Cc1c(C)nc2n1ccs2
• InChI: InChI=1S/C22H28FN5S/c1-17-21(28-13-14-29-22(28)24-17)16-25-8-2-3-20(15-25)27-11-9-26(10-12-27)19-6-4-18(23)5-7-19/h4-7,13-14,20H,2-3,8-12,15-16H2,1H3
• InChIKey: DSWAEPPSBOJJAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-4-[1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-3-yl]piperazine
• IUPAC Traditional name: 1-(4-fluorophenyl)-4-[1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-3-yl]piperazine
• Synonyms: 5-({3-[4-(4-fluorophenyl)-1-piperazinyl]-1-piperidinyl}methyl)-6-methylimidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.20824425
• LogD (pH = 7.4): 2.0172005
• Log P: 3.1511695
• Molar Refractivity: 128.5194 cm^3
• Polarizability: 44.136192 Å^3
• Polar Surface Area: 27.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.5
• LOG S: -3.77
• Polar Surface Area: 27.02 Å^2
• Rotatable Bonds: 4