N-[3-(3-ethylphenoxy)propyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 772187
• Molecular Formular: C18H21N3O2S
• Molecular Mass: 343.44324
• Monoisotopic Mass: 343.13544793
• SMILES: c1(nc2n(c1)ccs2)C(=O)N(CCCOc1cc(ccc1)CC)C
• Canonical SMILES: CCc1cccc(c1)OCCCN(C(=O)c1cn2c(n1)scc2)C
• InChI: InChI=1S/C18H21N3O2S/c1-3-14-6-4-7-15(12-14)23-10-5-8-20(2)17(22)16-13-21-9-11-24-18(21)19-16/h4,6-7,9,11-13H,3,5,8,10H2,1-2H3
• InChIKey: DSLLMFSUXCEPNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3-ethylphenoxy)propyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-[3-(3-ethylphenoxy)propyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-[3-(3-ethylphenoxy)propyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1390612
• LogD (pH = 7.4): 3.1390924
• Log P: 3.139093
• Molar Refractivity: 107.072 cm^3
• Polarizability: 36.06876 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.38
• LOG S: -4.59
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 7