N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

• ChemBase ID: 672748
• Molecular Formular: C17H20N4O2S
• Molecular Mass: 344.4313
• Monoisotopic Mass: 344.1306969
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)N(C(c2nccs2)C)C)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)N(C(c1nccs1)C)C
• InChI: InChI=1S/C17H20N4O2S/c1-11-4-5-13(10-14(11)21-8-6-19-17(21)23)16(22)20(3)12(2)15-18-7-9-24-15/h4-5,7,9-10,12H,6,8H2,1-3H3,(H,19,23)
• InChIKey: TXQREIKOBJEDDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
• IUPAC Traditional name: N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
• Synonyms: N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.584643
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.630071
• LogD (pH = 7.4): 1.6302361
• Log P: 1.6302383
• Molar Refractivity: 93.1962 cm^3
• Polarizability: 34.98854 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.04
• LOG S: -2.6
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 4