1-(furan-2-carbonyl)-4-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}piperazine

• ChemBase ID: 358147
• Molecular Formular: C15H14N4O3S
• Molecular Mass: 330.36166
• Monoisotopic Mass: 330.07866133
• SMILES: c1(nc2n(c1)ccs2)C(=O)N1CCN(C(=O)c2occc2)CC1
• Canonical SMILES: O=C(c1cn2c(n1)scc2)N1CCN(CC1)C(=O)c1ccco1
• InChI: InChI=1S/C15H14N4O3S/c20-13(11-10-19-7-9-23-15(19)16-11)17-3-5-18(6-4-17)14(21)12-2-1-8-22-12/h1-2,7-10H,3-6H2
• InChIKey: IHWNHRROGSHCOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-carbonyl)-4-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}piperazine
• IUPAC Traditional name: 1-(furan-2-carbonyl)-4-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}piperazine
• Synonyms: 6-{[4-(2-furoyl)piperazin-1-yl]carbonyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4654968
• LogD (pH = 7.4): 0.4655281
• Log P: 0.4655285
• Molar Refractivity: 95.3949 cm^3
• Polarizability: 30.90715 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.89
• LOG S: -2.37
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 2