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

• ChemBase ID: 739290
• Molecular Formular: C18H20N4O3S
• Molecular Mass: 372.4414
• Monoisotopic Mass: 372.12561152
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NC(c2nc(c(s2)C)C)CC)cc1
• Canonical SMILES: CCC(c1sc(c(n1)C)C)NC(=O)c1ccc(cc1)N1CC(=O)NC1=O
• InChI: InChI=1S/C18H20N4O3S/c1-4-14(17-19-10(2)11(3)26-17)20-16(24)12-5-7-13(8-6-12)22-9-15(23)21-18(22)25/h5-8,14H,4,9H2,1-3H3,(H,20,24)(H,21,23,25)
• InChIKey: BPEZBHQOZITNFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064495
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8300513
• LogD (pH = 7.4): 1.821478
• Log P: 1.8306804
• Molar Refractivity: 97.5092 cm^3
• Polarizability: 36.853504 Å^3
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.07
• LOG S: -3.68
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 5