5-[1-(dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

• ChemBase ID: 316341
• Molecular Formular: C20H24N4O3S2
• Molecular Mass: 432.55956
• Monoisotopic Mass: 432.12898265
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2c(nc(s2)C)C)CC1)C)Cc1cscc1
• Canonical SMILES: O=C1NC(C(=O)N1Cc1cscc1)(C)C1CCN(CC1)C(=O)c1sc(nc1C)C
• InChI: InChI=1S/C20H24N4O3S2/c1-12-16(29-13(2)21-12)17(25)23-7-4-15(5-8-23)20(3)18(26)24(19(27)22-20)10-14-6-9-28-11-14/h6,9,11,15H,4-5,7-8,10H2,1-3H3,(H,22,27)
• InChIKey: BCYSJGFHLLFYIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.984334
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5371445
• LogD (pH = 7.4): 1.5371227
• Log P: 1.5372356
• Molar Refractivity: 111.3553 cm^3
• Polarizability: 42.21956 Å^3
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.59
• LOG S: -5.95
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 4