structure of 2-AMINO-4-(4-METHOXYPHENYL)-5-METHYLTHIOPHENE-3-CARBONITRILE

2-AMINO-4-(4-METHOXYPHENYL)-5-METHYLTHIOPHENE-3-CARBONITRILE

CAS No.: 100005-23-0
M. Wt: 244.31200
M. Fa: C13H12N2OS
InChI Key: DOBQZXVLOBZACE-UHFFFAOYSA-N

Names and Identifiers of 100005-23-0

CAS Number

100005-23-0

MDL Number

MFCD02609524

IUPAC Name

2-amino-4-(4-methoxyphenyl)-5-methylthiophene-3-carbonitrile

InChI

InChI=1S/C13H12N2OS/c1-8-12(11(7-14)13(15)17-8)9-3-5-10(16-2)6-4-9/h3-6H,15H2,1-2H3

InChIKey

DOBQZXVLOBZACE-UHFFFAOYSA-N

Canonical SMILES

COC1=CC=C(C2=C(C)SC(N)=C2C#N)C=C1

UNSPSC Code

12352100

Physical and chemical properties of 100005-23-0

Boiling Point

421.2ºC at 760 mmHg

Density

1.27g/cm3

Exact Mass

244.06700

Flash Point

208.5ºC

Index of Refraction

1.636

LogP

3.76718

Molecular Formula

C13H12N2OS

Molecular Weight

244.31200

PSA

87.28000

Vapour Pressure

2.65E-07mmHg at 25°C

Safety Information of 100005-23-0

Pictograms

Signal Word

 Warning

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

Applications of 100005-23-0

The applications of 2-Amino-4-(4-methoxyphenyl)-5-methylthiophene-3-carbonitrile extend across various fields:

  • Pharmaceutical Industry: Due to its biological activity, it is being explored as a potential drug candidate for treating infections and cancers.
  • Material Science: Its unique properties may find applications in developing new materials with specific electronic or optical characteristics.
  • Chemical Research: It serves as an intermediate in synthesizing more complex organic compounds.

Interaction Studies of 100005-23-0

Interaction studies of 2-Amino-4-(4-methoxyphenyl)-5-methylthiophene-3-carbonitrile focus on its binding affinity with biological targets:

  • Protein Binding: Investigations into how this compound interacts with specific proteins can provide insights into its mechanism of action.
  • Enzyme Inhibition: Studies may reveal whether it acts as an inhibitor or activator of certain enzymes, contributing to its therapeutic potential.

Understanding these interactions is essential for optimizing its use in medicinal chemistry.

Biological Activity of 100005-23-0

Research indicates that 2-Amino-4-(4-methoxyphenyl)-5-methylthiophene-3-carbonitrile exhibits notable biological activities:

  • Antimicrobial Properties: Studies have shown that this compound possesses antimicrobial activity against various bacterial strains.
  • Antitumor Activity: Preliminary investigations suggest potential antitumor effects, making it a candidate for further pharmacological studies.
  • Anti-inflammatory Effects: Its structural components may contribute to anti-inflammatory properties, although more research is required to confirm these effects.