structure of Ethyl 2-(Pyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

Ethyl 2-(Pyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

CAS No.: 1000339-79-6
M. Wt: 294.29300
M. Fa: C11H13F3N2O2S
InChI Key: UFCVXWWKIIUOGF-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1000339-79-6

CAS Number

1000339-79-6

MDL Number

MFCD09750913

IUPAC Name

ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

InChI

InChI=1S/C11H13F3N2O2S/c1-2-18-9(17)7-8(11(12,13)14)15-10(19-7)16-5-3-4-6-16/h2-6H2,1H3

InChIKey

UFCVXWWKIIUOGF-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)C1=C(C(F)(F)F)N=C(N2CCCC2)S1

UNSPSC Code

12352100

Physical and chemical properties of 1000339-79-6

Exact Mass

294.06500

LogP

3.00380

Molecular Formula

C11H13F3N2O2S

Molecular Weight

294.29300

PSA

70.67000

Safety Information of 1000339-79-6

Pictograms

Signal Word

 Warning

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

Applications of 1000339-79-6

Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate has several applications:

  • Pharmaceutical Research: It serves as a scaffold in drug discovery for developing new therapeutic agents.
  • Material Science: Its unique properties make it suitable for creating advanced materials with specific functionalities.
  • Biochemical Studies: Utilized in enzyme inhibition studies and receptor binding assays.

Interaction Studies of 1000339-79-6

Interaction studies have focused on understanding how ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate interacts with biological targets:

  • Molecular Docking Studies: These studies provide insights into binding affinities and modes of interaction with various enzymes.
  • In Vitro Assays: Testing against microbial strains to evaluate antimicrobial efficacy and mechanism of action has yielded promising results.

Biological Activity of 1000339-79-6

Research indicates that ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate exhibits significant biological activities. It has been studied for its potential as:

  • Antimicrobial Agent: Its structure suggests possible interactions with microbial enzymes.
  • Enzyme Inhibitor: The presence of the pyrrolidine and thiazole rings may facilitate binding to active sites of various enzymes.
  • Anti-inflammatory Properties: Preliminary studies suggest it may modulate inflammatory pathways, although further research is needed to confirm these effects.