structure of 4-Phenylthiazole-5-carboxylic acid

4-Phenylthiazole-5-carboxylic acid

CAS No.: 99822-84-1
M. Wt: 205.23300
M. Fa: C10H7NO2S
InChI Key: NGTZFWMOTDGMKO-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 4-Phenylthiazole-5-carboxylic acid

CAS Number

99822-84-1

IUPAC Name

4-phenyl-1,3-thiazole-5-carboxylic acid

InChI

InChI=1S/C10H7NO2S/c12-10(13)9-8(11-6-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)

InChIKey

NGTZFWMOTDGMKO-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C(C=C1)C2=C(SC=N2)C(=O)O

Physical and chemical properties of 4-Phenylthiazole-5-carboxylic acid

Exact Mass

205.02000

LogP

2.50830

Molecular Formula

C10H7NO2S

Molecular Weight

205.23300

PSA

78.43000

Safety Information of 4-Phenylthiazole-5-carboxylic acid

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 4-Phenylthiazole-5-carboxylic acid

4-Phenylthiazole-5-carboxylic acid has several applications in medicinal chemistry:

  • Drug Development: Its potential as an antiviral agent makes it a subject of interest for developing new antiviral therapies.
  • Biochemical Research: It serves as a tool for studying enzyme inhibition and other biochemical pathways.
  • Agricultural Chemistry: Similar compounds have been explored for use as agrochemicals, indicating potential applications in pest control.

Interaction Studies of 4-Phenylthiazole-5-carboxylic acid

Interaction studies have focused on understanding how 4-phenylthiazole-5-carboxylic acid interacts with biological macromolecules, such as proteins and nucleic acids. These studies are crucial for elucidating its mechanism of action as an antiviral agent. For example, structural optimization based on molecular docking studies has been employed to predict binding affinities and interactions with viral proteins. Such insights are essential for guiding further modifications to enhance efficacy and selectivity.

Biological Activity of 4-Phenylthiazole-5-carboxylic acid

Studies have indicated that 4-phenylthiazole-5-carboxylic acid exhibits notable biological activities, particularly as an antiflaviviral agent. Research has shown that modifications on the phenyl ring can significantly influence the compound's effectiveness against flavivirus infections. For instance, derivatives of this compound have been evaluated for their ability to inhibit viral replication, showcasing promising results in vitro. Additionally, its structural characteristics allow it to interact with various biological targets, making it a candidate for further pharmacological exploration.

Physical sample testing spectrum (NMR) of 4-Phenylthiazole-5-carboxylic acid

Physical sample testing spectrum (NMR) of 4-Phenylthiazole-5-carboxylic acid

Retrosynthesis analysis of 4-Phenylthiazole-5-carboxylic acid

  • Route#1

    Cas:99822-80-7
    Cas:99822-84-1
  • Route#2

    Cas:64399-23-1
    Cas:99822-84-1
  • Route#3

    Cas:55919-47-6
    Cas:99822-84-1