N-[3-(cyclohexyloxy)propyl]-4-methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxamide

• ChemBase ID: 547398
• Molecular Formular: C17H28N2O2S
• Molecular Mass: 324.48142
• Monoisotopic Mass: 324.18714915
• SMILES: c1(sc(nc1C)C(C)C)C(=O)NCCCOC1CCCCC1
• Canonical SMILES: CC(c1sc(c(n1)C)C(=O)NCCCOC1CCCCC1)C
• InChI: InChI=1S/C17H28N2O2S/c1-12(2)17-19-13(3)15(22-17)16(20)18-10-7-11-21-14-8-5-4-6-9-14/h12,14H,4-11H2,1-3H3,(H,18,20)
• InChIKey: JYCXGEILUBKAJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclohexyloxy)propyl]-4-methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N-[3-(cyclohexyloxy)propyl]-2-isopropyl-4-methyl-1,3-thiazole-5-carboxamide
• Synonyms: N-[3-(cyclohexyloxy)propyl]-2-isopropyl-4-methyl-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.87202
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1489482
• LogD (pH = 7.4): 3.1490054
• Log P: 3.1490061
• Molar Refractivity: 90.1823 cm^3
• Polarizability: 34.708557 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.37
• LOG S: -4.44
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 7