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

• ChemBase ID: 495810
• Molecular Formular: C17H17N3O3S2
• Molecular Mass: 375.46518
• Monoisotopic Mass: 375.07113342
• SMILES: c1(nc2n(c1)ccs2)C(=O)N(C1CS(=O)(=O)CC1)Cc1ccccc1
• Canonical SMILES: O=C(N(C1CCS(=O)(=O)C1)Cc1ccccc1)c1cn2c(n1)scc2
• InChI: InChI=1S/C17H17N3O3S2/c21-16(15-11-19-7-8-24-17(19)18-15)20(10-13-4-2-1-3-5-13)14-6-9-25(22,23)12-14/h1-5,7-8,11,14H,6,9-10,12H2
• InChIKey: MGOUPIKJJHXECL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9816188
• LogD (pH = 7.4): 0.9816498
• Log P: 0.98165023
• Molar Refractivity: 107.1758 cm^3
• Polarizability: 37.12715 Å^3
• Polar Surface Area: 71.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.64
• LOG S: -3.34
• Polar Surface Area: 71.75 Å^2
• Rotatable Bonds: 4