N-{2-methyl-1,1-dioxo-2H,3H,4H-1λ6-thieno[2,3-e][1,2]thiazin-4-yl}-2-(2-methyl-1,3-thiazol-4-yl)acetamide

• ChemBase ID: 671981
• Molecular Formular: C13H15N3O3S3
• Molecular Mass: 357.4715
• Monoisotopic Mass: 357.02755436
• SMILES: S1(=O)(=O)c2c(C(CN1C)NC(=O)Cc1nc(sc1)C)scc2
• Canonical SMILES: O=C(NC1CN(C)S(=O)(=O)c2c1scc2)Cc1csc(n1)C
• InChI: InChI=1S/C13H15N3O3S3/c1-8-14-9(7-21-8)5-12(17)15-10-6-16(2)22(18,19)11-3-4-20-13(10)11/h3-4,7,10H,5-6H2,1-2H3,(H,15,17)
• InChIKey: YHURMPPLFIPLHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-methyl-1,1-dioxo-2H,3H,4H-1λ^6-thieno[2,3-e][1,2]thiazin-4-yl}-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• IUPAC Traditional name: N-{2-methyl-1,1-dioxo-3H,4H-1λ^6-thieno[2,3-e][1,2]thiazin-4-yl}-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• Synonyms: N-(2-methyl-1,1-dioxido-3,4-dihydro-2H-thieno[2,3-e][1,2]thiazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.944264
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7730569
• LogD (pH = 7.4): 0.7743868
• Log P: 0.7744149
• Molar Refractivity: 84.5166 cm^3
• Polarizability: 33.268913 Å^3
• Polar Surface Area: 79.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.94
• LOG S: -2.6
• Polar Surface Area: 79.37 Å^2
• Rotatable Bonds: 3