structure of N,N-diethyl-1,3-benzothiazol-2-amine

N,N-diethyl-1,3-benzothiazol-2-amine

CAS No.: 24255-48-9
M. Wt: 206.30700
M. Fa: C11H14N2S
InChI Key: ZOFDVIIRCRBXCB-UHFFFAOYSA-N

Names and Identifiers of N,N-diethyl-1,3-benzothiazol-2-amine

CAS Number

24255-48-9

MDL Number

MFCD01417992

IUPAC Name

N,N-diethyl-1,3-benzothiazol-2-amine

InChI

InChI=1S/C11H14N2S/c1-3-13(4-2)11-12-9-7-5-6-8-10(9)14-11/h5-8H,3-4H2,1-2H3

InChIKey

ZOFDVIIRCRBXCB-UHFFFAOYSA-N

Canonical SMILES

CCN(CC)C1=NC2=CC=CC=C2S1

UNSPSC Code

12352100

Physical and chemical properties of N,N-diethyl-1,3-benzothiazol-2-amine

Boiling Point

295.6±23.0 °C(Predicted)

Density

1.163 g/cm3

Exact Mass

206.08800

LogP

3.14250

Molecular Formula

C11H14N2S

Molecular Weight

206.30700

PSA

44.37000

Safety Information of N,N-diethyl-1,3-benzothiazol-2-amine

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of N,N-diethyl-1,3-benzothiazol-2-amine

Benzothiazol-2-yl-diethyl-amine has several notable applications:

  • Pharmaceuticals: Its derivatives are explored for use as drugs targeting various diseases, including cancer and infections.
  • Agricultural Chemicals: Some compounds have been investigated for their potential as fungicides or herbicides.
  • Dyes and Pigments: Benzothiazole compounds are utilized in dye formulations due to their vibrant colors and stability.

Interaction Studies of N,N-diethyl-1,3-benzothiazol-2-amine

Studies examining the interactions of benzothiazol-2-yl-diethyl-amine with biological targets reveal its potential as a lead compound for drug development:

  • Kinase Inhibition Studies: Research indicates that certain derivatives can inhibit histidine kinases, affecting bacterial virulence .
  • Binding Affinity Assessments: Molecular docking studies have been conducted to evaluate how well these compounds bind to specific targets, providing insights into their mechanism of action .

Biological Activity of N,N-diethyl-1,3-benzothiazol-2-amine

Benzothiazole derivatives, including benzothiazol-2-yl-diethyl-amine, have shown various biological activities:

  • Antimicrobial Activity: Compounds containing benzothiazole structures often exhibit antimicrobial properties against bacteria and fungi .
  • Anticancer Potential: Some derivatives have been studied for their ability to inhibit cancer cell proliferation, particularly through mechanisms involving kinase inhibition .
  • Anti-inflammatory Effects: Certain benzothiazole compounds have demonstrated anti-inflammatory activity, making them potential candidates for treating inflammatory diseases .

Retrosynthesis analysis of N,N-diethyl-1,3-benzothiazol-2-amine

  • Route#1

    Cas:121-44-8
    Cas:615-20-3
    Cas:24255-48-9
  • Route#2

    Cas:61582-64-7
    Cas:95-16-9
    Cas:24255-48-9
  • Route#3

    Cas:7442-11-7
    Cas:24255-48-9