1-phenyl-4-{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}piperazine

• ChemBase ID: 454677
• Molecular Formular: C22H27N5OS
• Molecular Mass: 409.54768
• Monoisotopic Mass: 409.19363151
• SMILES: c1(c(n2c(n1)scc2)CN1CCN(CC1)c1ccccc1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nc2n(c1CN1CCN(CC1)c1ccccc1)ccs2)N1CCCCC1
• InChI: InChI=1S/C22H27N5OS/c28-21(26-9-5-2-6-10-26)20-19(27-15-16-29-22(27)23-20)17-24-11-13-25(14-12-24)18-7-3-1-4-8-18/h1,3-4,7-8,15-16H,2,5-6,9-14,17H2
• InChIKey: KWVIKXBXBBACOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-4-{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}piperazine
• IUPAC Traditional name: 1-phenyl-4-{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}piperazine
• Synonyms: 5-[(4-phenyl-1-piperazinyl)methyl]-6-(1-piperidinylcarbonyl)imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9051952
• LogD (pH = 7.4): 2.877813
• Log P: 2.9270973
• Molar Refractivity: 129.123 cm^3
• Polarizability: 44.03328 Å^3
• Polar Surface Area: 44.09 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: 2.13
• LOG S: -3.87
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 4