N-ethyl-4-methyl-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1,3-thiazol-2-amine

• ChemBase ID: 674578
• Molecular Formular: C18H24N4O2S
• Molecular Mass: 360.47376
• Monoisotopic Mass: 360.16199703
• SMILES: c1(C(=O)N2CCC(CC2)OCc2cnccc2)c(nc(s1)NCC)C
• Canonical SMILES: CCNc1nc(c(s1)C(=O)N1CCC(CC1)OCc1cccnc1)C
• InChI: InChI=1S/C18H24N4O2S/c1-3-20-18-21-13(2)16(25-18)17(23)22-9-6-15(7-10-22)24-12-14-5-4-8-19-11-14/h4-5,8,11,15H,3,6-7,9-10,12H2,1-2H3,(H,20,21)
• InChIKey: OWIASWSFDREJGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-methyl-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1,3-thiazol-2-amine
• IUPAC Traditional name: N-ethyl-4-methyl-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1,3-thiazol-2-amine
• Synonyms: N-ethyl-4-methyl-5-{[4-(3-pyridinylmethoxy)-1-piperidinyl]carbonyl}-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.342754
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1153319
• LogD (pH = 7.4): 1.1748358
• Log P: 1.1756635
• Molar Refractivity: 99.8607 cm^3
• Polarizability: 37.265312 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.52
• LOG S: -0.97
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6