N-(1,1-dioxo-2,3-dihydro-1λ6-thiophen-3-yl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 707866
• Molecular Formular: C10H9N3O3S2
• Molecular Mass: 283.32676
• Monoisotopic Mass: 283.00853316
• SMILES: c1(nc2n(c1)ccs2)C(=O)NC1CS(=O)(=O)C=C1
• Canonical SMILES: O=C(c1nc2n(c1)ccs2)NC1C=CS(=O)(=O)C1
• InChI: InChI=1S/C10H9N3O3S2/c14-9(11-7-1-4-18(15,16)6-7)8-5-13-2-3-17-10(13)12-8/h1-5,7H,6H2,(H,11,14)
• InChIKey: WBBWVLCIINREBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,1-dioxo-2,3-dihydro-1λ^6-thiophen-3-yl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-(1,1-dioxo-2,3-dihydro-1λ^6-thiophen-3-yl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-(1,1-dioxido-2,3-dihydro-3-thienyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.318551
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6503662
• LogD (pH = 7.4): -0.65033466
• Log P: -0.6503342
• Molar Refractivity: 77.5766 cm^3
• Polarizability: 25.568697 Å^3
• Polar Surface Area: 80.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.55
• LOG S: -1.74
• Polar Surface Area: 80.54 Å^2
• Rotatable Bonds: 2