5-ethyl-3-(pyridin-2-ylmethyl)-5-{1-[2-(thiophen-2-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl}imidazolidine-2,4-dione

• ChemBase ID: 432160
• Molecular Formular: C24H25N5O3S2
• Molecular Mass: 495.617
• Monoisotopic Mass: 495.13988169
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2nc(sc2)c2sccc2)CC1)CC)Cc1ncccc1
• Canonical SMILES: CCC1(NC(=O)N(C1=O)Cc1ccccn1)C1CCN(CC1)C(=O)c1csc(n1)c1cccs1
• InChI: InChI=1S/C24H25N5O3S2/c1-2-24(22(31)29(23(32)27-24)14-17-6-3-4-10-25-17)16-8-11-28(12-9-16)21(30)18-15-34-20(26-18)19-7-5-13-33-19/h3-7,10,13,15-16H,2,8-9,11-12,14H2,1H3,(H,27,32)
• InChIKey: MMPKIUXTJSAHDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-3-(pyridin-2-ylmethyl)-5-{1-[2-(thiophen-2-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl}imidazolidine-2,4-dione
• IUPAC Traditional name: 5-ethyl-3-(pyridin-2-ylmethyl)-5-{1-[2-(thiophen-2-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl}imidazolidine-2,4-dione
• Synonyms: 5-ethyl-3-(2-pyridinylmethyl)-5-(1-{[2-(2-thienyl)-1,3-thiazol-4-yl]carbonyl}-4-piperidinyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.966254
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.9269238
• LogD (pH = 7.4): 2.9436736
• Log P: 2.9440098
• Molar Refractivity: 138.8976 cm^3
• Polarizability: 49.88175 Å^3
• Polar Surface Area: 95.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.96
• LOG S: -6.37
• Polar Surface Area: 95.5 Å^2
• Rotatable Bonds: 5