5-benzyl-5-[1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 608070
• Molecular Formular: C22H25N5O2S
• Molecular Mass: 423.5312
• Monoisotopic Mass: 423.17289607
• SMILES: c12n(c(c(n1)C)CN1CCC(C3(C(=O)NC(=O)N3)Cc3ccccc3)CC1)ccs2
• Canonical SMILES: O=C1NC(=O)C(N1)(Cc1ccccc1)C1CCN(CC1)Cc1c(C)nc2n1ccs2
• InChI: InChI=1S/C22H25N5O2S/c1-15-18(27-11-12-30-21(27)23-15)14-26-9-7-17(8-10-26)22(19(28)24-20(29)25-22)13-16-5-3-2-4-6-16/h2-6,11-12,17H,7-10,13-14H2,1H3,(H2,24,25,28,29)
• InChIKey: UPRWBSVDGROLHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-5-[1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-benzyl-5-[1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-benzyl-5-{1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-piperidinyl}-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.169361
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.3609996
• LogD (pH = 7.4): 1.3747132
• Log P: 1.9340843
• Molar Refractivity: 126.9288 cm^3
• Polarizability: 44.249516 Å^3
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.88
• LOG S: -4.05
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 5