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

• ChemBase ID: 560241
• Molecular Formular: C19H24N4O2S
• Molecular Mass: 372.48446
• Monoisotopic Mass: 372.16199703
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCCCc2nc(c(s2)C)C)ccc1C
• Canonical SMILES: O=C(c1ccc(c(c1)N1CCNC1=O)C)NCCCc1sc(c(n1)C)C
• InChI: InChI=1S/C19H24N4O2S/c1-12-6-7-15(11-16(12)23-10-9-21-19(23)25)18(24)20-8-4-5-17-22-13(2)14(3)26-17/h6-7,11H,4-5,8-10H2,1-3H3,(H,20,24)(H,21,25)
• InChIKey: CVWPNQUSRYHGBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethyl-1,3-thiazol-2-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[3-(dimethyl-1,3-thiazol-2-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methyl-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.827919
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1394653
• LogD (pH = 7.4): 2.1406872
• Log P: 2.140703
• Molar Refractivity: 102.9078 cm^3
• Polarizability: 38.49676 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.02
• LOG S: -3.64
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 6