1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)-4-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine

• ChemBase ID: 747433
• Molecular Formular: C24H26N6S
• Molecular Mass: 430.56844
• Monoisotopic Mass: 430.19396586
• SMILES: c12n(c(c(n1)C)CN1CCN(c3nc(nc4c3CCC4)c3ccccc3)CC1)ccs2
• Canonical SMILES: Cc1nc2n(c1CN1CCN(CC1)c1nc(nc3c1CCC3)c1ccccc1)ccs2
• InChI: InChI=1S/C24H26N6S/c1-17-21(30-14-15-31-24(30)25-17)16-28-10-12-29(13-11-28)23-19-8-5-9-20(19)26-22(27-23)18-6-3-2-4-7-18/h2-4,6-7,14-15H,5,8-13,16H2,1H3
• InChIKey: TVGOCRODVVORER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)-4-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine
• IUPAC Traditional name: 1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)-4-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine
• Synonyms: 4-{4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-piperazinyl}-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0793247
• LogD (pH = 7.4): 4.5462704
• Log P: 4.642741
• Molar Refractivity: 147.919 cm^3
• Polarizability: 47.590233 Å^3
• Polar Surface Area: 49.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.99
• LOG S: -5.54
• Polar Surface Area: 49.56 Å^2
• Rotatable Bonds: 4