structure of methyl 4-bromo-2-chloro-1,3-thiazole-5-carboxylate

methyl 4-bromo-2-chloro-1,3-thiazole-5-carboxylate

CAS No.: 1000575-16-5
M. Wt: 256.505
M. Fa: C5H3BrClNO2S
InChI Key: IIJWBQWNNFDNAV-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1000575-16-5

CAS Number

1000575-16-5

MDL Number

MFCD09878034

IUPAC Name

methyl 4-bromo-2-chloro-1,3-thiazole-5-carboxylate

InChI

InChI=1S/C5H3BrClNO2S/c1-10-4(9)2-3(6)8-5(7)11-2/h1H3

InChIKey

IIJWBQWNNFDNAV-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C1=C(Br)N=C(Cl)S1

UNSPSC Code

12352100

Physical and chemical properties of 1000575-16-5

Boiling Point

323.2±45.0 °C at 760 mmHg

Density

1.9±0.1 g/cm3

Exact Mass

254.875626

Flash Point

149.3±28.7 °C

Index of Refraction

1.597

LogP

1.32

Molecular Formula

C5H3BrClNO2S

Molecular Weight

256.505

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 1000575-16-5

Pictograms

Signal Word

 Warning

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

Applications of 1000575-16-5

Methyl 4-Bromo-2-chlorothiazole-5-carboxylate finds applications in several fields:

  • Pharmaceutical Research: As a potential lead compound for drug discovery targeting various diseases.
  • Agricultural Chemistry: Used in developing pesticides or herbicides due to its biological activity against pests.
  • Biochemical Studies: Employed in proteomics research to study protein interactions and functions.

Its unique structure allows for modifications that can enhance its efficacy and specificity for various applications.

Interaction Studies of 1000575-16-5

Interaction studies involving methyl 4-Bromo-2-chlorothiazole-5-carboxylate focus on its binding affinity with biological macromolecules:

  • Protein Binding Studies: Investigating how this compound interacts with proteins can provide insights into its mechanism of action.
  • Enzyme Inhibition Assays: Assessing its ability to inhibit specific enzymes helps determine its potential therapeutic applications.
  • Cellular Uptake Studies: Understanding how this compound enters cells can inform its bioavailability and efficacy as a drug candidate.

Such studies are essential for evaluating the pharmacokinetics and pharmacodynamics of the compound.

Biological Activity of 1000575-16-5

The biological activity of methyl 4-Bromo-2-chlorothiazole-5-carboxylate has been the subject of investigation due to its potential as a bioactive agent. Preliminary studies suggest that it may possess:

  • Antimicrobial Properties: Similar compounds in the thiazole family have demonstrated efficacy against various bacterial strains.
  • Anticancer Activity: Some derivatives have shown promise in inhibiting cancer cell proliferation.
  • Enzyme Inhibition: The compound may interact with specific enzymes, potentially serving as a lead for drug development targeting metabolic pathways.

Further research is necessary to elucidate the specific mechanisms of action and therapeutic potential of this compound.