2-{7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-1,3-thiazole-4-carboxamide

• ChemBase ID: 866283
• Molecular Formular: C17H24N4O2S
• Molecular Mass: 348.46306
• Monoisotopic Mass: 348.16199703
• SMILES: c1(nc(cs1)C(=O)N)N1CC2(C(=O)N(C3CCCC3)CCC2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)c1scc(n1)C(=O)N)C1CCCC1
• InChI: InChI=1S/C17H24N4O2S/c18-14(22)13-10-24-16(19-13)20-9-7-17(11-20)6-3-8-21(15(17)23)12-4-1-2-5-12/h10,12H,1-9,11H2,(H2,18,22)
• InChIKey: ZRQVHCIYYDQGMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: 2-{7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-1,3-thiazole-4-carboxamide
• Synonyms: 2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.216463
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9674308
• LogD (pH = 7.4): 1.967434
• Log P: 1.9674339
• Molar Refractivity: 92.9008 cm^3
• Polarizability: 35.116585 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.39
• LOG S: -2.07
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 3