2-(dimethyl-1,3-thiazol-4-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylacetamide

• ChemBase ID: 518390
• Molecular Formular: C19H24N2OS
• Molecular Mass: 328.47166
• Monoisotopic Mass: 328.1609344
• SMILES: c1(nc(sc1C)C)CC(=O)N(C/C=C/c1ccccc1)CCC
• Canonical SMILES: CCCN(C(=O)Cc1nc(sc1C)C)C/C=C/c1ccccc1
• InChI: InChI=1S/C19H24N2OS/c1-4-12-21(13-8-11-17-9-6-5-7-10-17)19(22)14-18-15(2)23-16(3)20-18/h5-11H,4,12-14H2,1-3H3/b11-8+
• InChIKey: KGMOJNJVZGOTPV-DHZHZOJOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,3-thiazol-4-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylacetamide
• IUPAC Traditional name: 2-(dimethyl-1,3-thiazol-4-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylacetamide
• Synonyms: 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.273541
• LogD (pH = 7.4): 4.278626
• Log P: 4.2786913
• Molar Refractivity: 97.5184 cm^3
• Polarizability: 36.9883 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.69
• LOG S: -4.75
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 7