1-{6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl}-4-(pyridin-4-yl)piperazine

• ChemBase ID: 428673
• Molecular Formular: C21H19N5OS
• Molecular Mass: 389.47346
• Monoisotopic Mass: 389.13103125
• SMILES: n12c(C(=O)N3CCN(c4ccncc4)CC3)csc1nc(c2)c1ccccc1
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1ccccc1)N1CCN(CC1)c1ccncc1
• InChI: InChI=1S/C21H19N5OS/c27-20(25-12-10-24(11-13-25)17-6-8-22-9-7-17)19-15-28-21-23-18(14-26(19)21)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2
• InChIKey: GONLQAXAPVWXBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl}-4-(pyridin-4-yl)piperazine
• IUPAC Traditional name: 1-{6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl}-4-(pyridin-4-yl)piperazine
• Synonyms: 6-phenyl-3-{[4-(4-pyridinyl)-1-piperazinyl]carbonyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5803642
• LogD (pH = 7.4): 1.7302461
• Log P: 2.5648873
• Molar Refractivity: 121.4176 cm^3
• Polarizability: 42.230164 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.16
• LOG S: -5.27
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 3