3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine

• ChemBase ID: 574338
• Molecular Formular: C18H26N4O2S
• Molecular Mass: 362.48964
• Monoisotopic Mass: 362.17764709
• SMILES: c1(nc(sc1)CCC)C(=O)N1CC(c2n(ccn2)CCOC)CCC1
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCCC(C1)c1nccn1CCOC
• InChI: InChI=1S/C18H26N4O2S/c1-3-5-16-20-15(13-25-16)18(23)22-8-4-6-14(12-22)17-19-7-9-21(17)10-11-24-2/h7,9,13-14H,3-6,8,10-12H2,1-2H3
• InChIKey: AFOHVQKDURILKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine
• IUPAC Traditional name: 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine
• Synonyms: 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5323509
• LogD (pH = 7.4): 2.1631348
• Log P: 2.1909554
• Molar Refractivity: 98.4127 cm^3
• Polarizability: 37.457134 Å^3
• Polar Surface Area: 60.25 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 4
• H Donor: 0
• Log P: 0.58
• LOG S: -2.34
• Polar Surface Area: 60.25 Å^2