2-(dimethyl-1,3-thiazol-5-yl)-N-(1,1-dioxo-1λ6-thiolan-3-yl)-N-ethylacetamide

• ChemBase ID: 406499
• Molecular Formular: C13H20N2O3S2
• Molecular Mass: 316.4395
• Monoisotopic Mass: 316.09153451
• SMILES: S1(=O)(=O)CC(N(C(=O)Cc2sc(nc2C)C)CC)CC1
• Canonical SMILES: CCN(C1CCS(=O)(=O)C1)C(=O)Cc1sc(nc1C)C
• InChI: InChI=1S/C13H20N2O3S2/c1-4-15(11-5-6-20(17,18)8-11)13(16)7-12-9(2)14-10(3)19-12/h11H,4-8H2,1-3H3
• InChIKey: CFLLGFZYCCBSQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,3-thiazol-5-yl)-N-(1,1-dioxo-1λ^6-thiolan-3-yl)-N-ethylacetamide
• IUPAC Traditional name: 2-(dimethyl-1,3-thiazol-5-yl)-N-(1,1-dioxo-1λ^6-thiolan-3-yl)-N-ethylacetamide
• Synonyms: 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1,1-dioxidotetrahydro-3-thienyl)-N-ethylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.5679179
• LogD (pH = 7.4): -0.56606144
• Log P: -0.5660377
• Molar Refractivity: 78.3055 cm^3
• Polarizability: 31.100668 Å^3
• Polar Surface Area: 67.34 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: -0.27
• LOG S: -2.59
• Polar Surface Area: 67.34 Å^2
• Rotatable Bonds: 4