N,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-(thiophen-2-ylformamido)propanamide

• ChemBase ID: 741972
• Molecular Formular: C15H19N3O2S2
• Molecular Mass: 337.46026
• Monoisotopic Mass: 337.09186886
• SMILES: C(=O)(N(C(c1nccs1)C)C)C(NC(=O)c1sccc1)(C)C
• Canonical SMILES: CC(N(C(=O)C(NC(=O)c1cccs1)(C)C)C)c1nccs1
• InChI: InChI=1S/C15H19N3O2S2/c1-10(13-16-7-9-22-13)18(4)14(20)15(2,3)17-12(19)11-6-5-8-21-11/h5-10H,1-4H3,(H,17,19)
• InChIKey: GZTMJYTYGYZPDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-(thiophen-2-ylformamido)propanamide
• IUPAC Traditional name: N,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-(thiophen-2-ylformamido)propanamide
• Synonyms: N-(1,1-dimethyl-2-{methyl[1-(1,3-thiazol-2-yl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.324637
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1053958
• LogD (pH = 7.4): 2.105561
• Log P: 2.1055632
• Molar Refractivity: 87.4723 cm^3
• Polarizability: 33.37592 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.25
• LOG S: -2.73
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5