N-(1,1-dioxo-1λ6-thian-4-yl)-N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 720863
• Molecular Formular: C14H16N2O3S3
• Molecular Mass: 356.48344
• Monoisotopic Mass: 356.03230538
• SMILES: c1(nc(sc1)c1sccc1)C(=O)N(C1CCS(=O)(=O)CC1)C
• Canonical SMILES: CN(C(=O)c1csc(n1)c1cccs1)C1CCS(=O)(=O)CC1
• InChI: InChI=1S/C14H16N2O3S3/c1-16(10-4-7-22(18,19)8-5-10)14(17)11-9-21-13(15-11)12-3-2-6-20-12/h2-3,6,9-10H,4-5,7-8H2,1H3
• InChIKey: ZLZLGNCRXSWPHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,1-dioxo-1λ^6-thian-4-yl)-N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-(1,1-dioxo-1λ^6-thian-4-yl)-N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
• Synonyms: N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-N-methyl-2-(2-thienyl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9578429
• LogD (pH = 7.4): 0.957843
• Log P: 0.957843
• Molar Refractivity: 97.5877 cm^3
• Polarizability: 34.498596 Å^3
• Polar Surface Area: 67.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.29
• LOG S: -3.36
• Polar Surface Area: 67.34 Å^2
• Rotatable Bonds: 3