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

• ChemBase ID: 401387
• Molecular Formular: C15H14N4O2S2
• Molecular Mass: 346.42726
• Monoisotopic Mass: 346.05581771
• SMILES: c1(nc2n(c1)ccs2)C(=O)N1CCN(C(=O)c2sccc2)CC1
• Canonical SMILES: O=C(c1cn2c(n1)scc2)N1CCN(CC1)C(=O)c1cccs1
• InChI: InChI=1S/C15H14N4O2S2/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: OJTABNZMKBTKRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-4-(thiophene-2-carbonyl)piperazine
• IUPAC Traditional name: 1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-4-(thiophene-2-carbonyl)piperazine
• Synonyms: 6-{[4-(2-thienylcarbonyl)-1-piperazinyl]carbonyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3181316
• LogD (pH = 7.4): 1.3181628
• Log P: 1.3181633
• Molar Refractivity: 99.8939 cm^3
• Polarizability: 32.686684 Å^3
• Polar Surface Area: 57.92 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: 1.23
• LOG S: -2.78
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 2