2-ethyl-N,4-dimethyl-N-(quinolin-5-ylmethyl)-1,3-thiazole-5-carboxamide

• ChemBase ID: 323964
• Molecular Formular: C18H19N3OS
• Molecular Mass: 325.42796
• Monoisotopic Mass: 325.12488324
• SMILES: c1(C(=O)N(Cc2c3c(nccc3)ccc2)C)c(nc(s1)CC)C
• Canonical SMILES: CCc1nc(c(s1)C(=O)N(Cc1cccc2c1cccn2)C)C
• InChI: InChI=1S/C18H19N3OS/c1-4-16-20-12(2)17(23-16)18(22)21(3)11-13-7-5-9-15-14(13)8-6-10-19-15/h5-10H,4,11H2,1-3H3
• InChIKey: UJJKWBLQIKYOLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-N,4-dimethyl-N-(quinolin-5-ylmethyl)-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: 2-ethyl-N,4-dimethyl-N-(quinolin-5-ylmethyl)-1,3-thiazole-5-carboxamide
• Synonyms: 2-ethyl-N,4-dimethyl-N-(quinolin-5-ylmethyl)-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8814154
• LogD (pH = 7.4): 2.8993351
• Log P: 2.899569
• Molar Refractivity: 92.1153 cm^3
• Polarizability: 36.199028 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.94
• LOG S: -4.08
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 4