3,5-dichloro-N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylbenzamide

• ChemBase ID: 500119
• Molecular Formular: C16H18Cl2N2OS
• Molecular Mass: 357.29792
• Monoisotopic Mass: 356.05168957
• SMILES: c1(nc(sc1C)C)C(N(C(=O)c1cc(c(c(c1)Cl)C)Cl)C)C
• Canonical SMILES: Cc1nc(c(s1)C)C(N(C(=O)c1cc(Cl)c(c(c1)Cl)C)C)C
• InChI: InChI=1S/C16H18Cl2N2OS/c1-8-13(17)6-12(7-14(8)18)16(21)20(5)9(2)15-10(3)22-11(4)19-15/h6-7,9H,1-5H3
• InChIKey: RNIPYODITAVBDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylbenzamide
• IUPAC Traditional name: 3,5-dichloro-N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylbenzamide
• Synonyms: 3,5-dichloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.7918935
• LogD (pH = 7.4): 4.795135
• Log P: 4.7951765
• Molar Refractivity: 92.8703 cm^3
• Polarizability: 35.138695 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.97
• LOG S: -5.2
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3