N-(furan-2-ylmethyl)-2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 556808
• Molecular Formular: C18H18N2O2S
• Molecular Mass: 326.41272
• Monoisotopic Mass: 326.10889883
• SMILES: c1(nc(sc1)C)C(=O)N(Cc1occc1)CCc1ccccc1
• Canonical SMILES: Cc1scc(n1)C(=O)N(Cc1ccco1)CCc1ccccc1
• InChI: InChI=1S/C18H18N2O2S/c1-14-19-17(13-23-14)18(21)20(12-16-8-5-11-22-16)10-9-15-6-3-2-4-7-15/h2-8,11,13H,9-10,12H2,1H3
• InChIKey: VTEAIYBCHIAUDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
• Synonyms: N-(2-furylmethyl)-2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.236797
• LogD (pH = 7.4): 3.2368002
• Log P: 3.2368002
• Molar Refractivity: 90.578 cm^3
• Polarizability: 34.29148 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.48
• LOG S: -3.7
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 6