structure of 2-Methylthiazole-5-carbaldehyde

2-Methylthiazole-5-carbaldehyde

CAS No.: 1003-60-7
M. Wt: 127.164
M. Fa: C5H5NOS
InChI Key: YELBTTSDCRQQRE-UHFFFAOYSA-N
Appearance: Brown Solid

Names and Identifiers of 2-Methylthiazole-5-carbaldehyde

CAS Number

1003-60-7

EC Number

692-702-4

MDL Number

MFCD09864617

IUPAC Name

2-methyl-1,3-thiazole-5-carbaldehyde

InChI

InChI=1S/C5H5NOS/c1-4-6-2-5(3-7)8-4/h2-3H,1H3

InChIKey

YELBTTSDCRQQRE-UHFFFAOYSA-N

Canonical SMILES

CC1=NC=C(S1)C=O

UNSPSC Code

12352100

Physical and chemical properties of 2-Methylthiazole-5-carbaldehyde

Acidity coefficient

1.66±0.10(Predicted)

Boiling Point

219.0±13.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

127.009186

Flash Point

86.2±19.8 °C

Index of Refraction

1.601

LogP

0.52

Molecular Formula

C5H5NOS

Molecular Weight

127.164

PSA

58.20000

Storage condition

Inert atmosphere,Store in freezer, under -20°C

Vapour Pressure

0.1±0.4 mmHg at 25°C

Safety Information of 2-Methylthiazole-5-carbaldehyde

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 2-Methylthiazole-5-carbaldehyde

2-Methylthiazole-5-carbaldehyde has several notable applications:

  • Pharmaceuticals: Its biological activity makes it a candidate for drug development, particularly in creating compounds with antitumor properties.
  • Flavoring and Fragrance: The unique odor profile allows it to be used in flavoring agents and perfumes.
  • Chemical Synthesis: It serves as an intermediate in synthesizing other thiazole derivatives and complex organic molecules.

Interaction Studies of 2-Methylthiazole-5-carbaldehyde

Interaction studies involving 2-Methylthiazole-5-carbaldehyde have focused on its reactivity with various biological targets. These studies often assess its potential as an inhibitor or modulator of specific enzymes or receptors, contributing to its evaluation as a therapeutic agent. Additionally, its role in cross-coupling reactions suggests potential interactions with transition metals like palladium, enhancing its utility in synthetic organic chemistry.

Biological Activity of 2-Methylthiazole-5-carbaldehyde

Research indicates that 2-Methylthiazole-5-carbaldehyde exhibits various biological activities, particularly in antitumor and cytotoxic effects. Its mechanism of action may involve interactions at a cellular level, potentially influencing pathways related to cell proliferation and apoptosis. Thiazoles, including this compound, have been studied for their ability to participate in cross-coupling reactions, which can lead to the formation of biologically active compounds.

Physical sample testing spectrum (NMR) of 2-Methylthiazole-5-carbaldehyde

Physical sample testing spectrum (NMR) of 2-Methylthiazole-5-carbaldehyde

Retrosynthesis analysis of 2-Methylthiazole-5-carbaldehyde

  • Route#1

    Cas:56012-38-5
    Cas:1003-60-7
  • Route#2

    Cas:79836-78-5
    Cas:1003-60-7
  • Route#3

    Cas:36437-19-1
    Cas:62-55-5
    Cas:1003-60-7