1-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-4-(1,3-thiazol-2-yl)piperazine

• ChemBase ID: 636132
• Molecular Formular: C14H15N5OS2
• Molecular Mass: 333.4318
• Monoisotopic Mass: 333.07180213
• SMILES: c1(n2c(nc1C)scc2)C(=O)N1CCN(c2nccs2)CC1
• Canonical SMILES: O=C(c1c(C)nc2n1ccs2)N1CCN(CC1)c1nccs1
• InChI: InChI=1S/C14H15N5OS2/c1-10-11(19-7-9-22-14(19)16-10)12(20)17-3-5-18(6-4-17)13-15-2-8-21-13/h2,7-9H,3-6H2,1H3
• InChIKey: KLOSUFQSQZFDKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2213314
• LogD (pH = 7.4): 1.2238647
• Log P: 1.223897
• Molar Refractivity: 98.0835 cm^3
• Polarizability: 31.836164 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.52
• LOG S: -2.93
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 2