N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

• ChemBase ID: 396621
• Molecular Formular: C13H19N3O3S2
• Molecular Mass: 329.43826
• Monoisotopic Mass: 329.08678348
• SMILES: S(=O)(=O)(c1c(onc1C)C)N(C(c1nc(sc1C)C)C)C
• Canonical SMILES: Cc1nc(c(s1)C)C(N(S(=O)(=O)c1c(C)noc1C)C)C
• InChI: InChI=1S/C13H19N3O3S2/c1-7-13(9(3)19-15-7)21(17,18)16(6)8(2)12-10(4)20-11(5)14-12/h8H,1-6H3
• InChIKey: DNJRBNRCLDQXFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
• IUPAC Traditional name: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
• Synonyms: N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3,5-trimethyl-4-isoxazolesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5213805
• LogD (pH = 7.4): 1.5244933
• Log P: 1.5245332
• Molar Refractivity: 82.4822 cm^3
• Polarizability: 31.66401 Å^3
• Polar Surface Area: 76.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.7
• LOG S: -3.05
• Polar Surface Area: 76.3 Å^2
• Rotatable Bonds: 3