N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide

• ChemBase ID: 541609
• Molecular Formular: C18H20N4O3S
• Molecular Mass: 372.4414
• Monoisotopic Mass: 372.12561152
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCc1nc(sc1)Cc1ccccc1)C)C
• Canonical SMILES: O=C(CC1N(C)C(=O)N(C1=O)C)NCc1csc(n1)Cc1ccccc1
• InChI: InChI=1S/C18H20N4O3S/c1-21-14(17(24)22(2)18(21)25)9-15(23)19-10-13-11-26-16(20-13)8-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,19,23)
• InChIKey: AJUWSJGUDRZPHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.139154
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7625581
• LogD (pH = 7.4): 0.76295465
• Log P: 0.7629598
• Molar Refractivity: 96.5491 cm^3
• Polarizability: 37.15308 Å^3
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.2
• LOG S: -3.06
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 6