2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}acetamide

• ChemBase ID: 339226
• Molecular Formular: C16H18N6O3S
• Molecular Mass: 374.41752
• Monoisotopic Mass: 374.11610947
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCCc1nc(sc1)c1nccnc1)C)C
• Canonical SMILES: O=C(CC1N(C)C(=O)N(C1=O)C)NCCc1csc(n1)c1cnccn1
• InChI: InChI=1S/C16H18N6O3S/c1-21-12(15(24)22(2)16(21)25)7-13(23)19-4-3-10-9-26-14(20-10)11-8-17-5-6-18-11/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,19,23)
• InChIKey: FITKABDBPZEFSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}acetamide
• IUPAC Traditional name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}acetamide
• Synonyms: 2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-{2-[2-(2-pyrazinyl)-1,3-thiazol-4-yl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.139399
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.9821572
• LogD (pH = 7.4): -0.9821564
• Log P: -0.98215634
• Molar Refractivity: 102.5017 cm^3
• Polarizability: 36.19748 Å^3
• Polar Surface Area: 108.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.06
• LOG S: -2.33
• Polar Surface Area: 108.39 Å^2
• Rotatable Bonds: 6