N-{1-oxaspiro[4.4]nonan-3-yl}-2-propyl-1,3-thiazole-4-carboxamide

• ChemBase ID: 726413
• Molecular Formular: C15H22N2O2S
• Molecular Mass: 294.41238
• Monoisotopic Mass: 294.14019895
• SMILES: c1(nc(sc1)CCC)C(=O)NC1CC2(OC1)CCCC2
• Canonical SMILES: CCCc1scc(n1)C(=O)NC1COC2(C1)CCCC2
• InChI: InChI=1S/C15H22N2O2S/c1-2-5-13-17-12(10-20-13)14(18)16-11-8-15(19-9-11)6-3-4-7-15/h10-11H,2-9H2,1H3,(H,16,18)
• InChIKey: WZTWTDNEWKCOOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-oxaspiro[4.4]nonan-3-yl}-2-propyl-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-{1-oxaspiro[4.4]nonan-3-yl}-2-propyl-1,3-thiazole-4-carboxamide
• Synonyms: N-1-oxaspiro[4.4]non-3-yl-2-propyl-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.700318
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.540069
• LogD (pH = 7.4): 2.5400715
• Log P: 2.5400715
• Molar Refractivity: 78.451 cm^3
• Polarizability: 30.396803 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.09
• LOG S: -3.13
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4