5-[2-(methylamino)acetyl]thiophene-3-carbonitrile

C8H8N2OS — CID 82408925

IUPAC5-[2-(methylamino)acetyl]thiophene-3-carbonitrile
SMILESCNCC(=O)c1cc(C#N)cs1
InChIInChI=1S/C8H8N2OS/c1-10-4-7(11)8-2-6(3-9)5-12-8/h2,5,10H,4H2,1H3
InChIKeyJZDIUVQINXMDHN-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.02
Rot. Bonds3

About 5-[2-(methylamino)acetyl]thiophene-3-carbonitrile

5-[2-(methylamino)acetyl]thiophene-3-carbonitrile (PubChem CID 82408925) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 5-[2-(methylamino)acetyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(methylamino)acetyl]thiophene-3-carbonitrile
PubChem CID82408925
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name5-[2-(methylamino)acetyl]thiophene-3-carbonitrile
SMILESCNCC(=O)c1cc(C#N)cs1
InChIInChI=1S/C8H8N2OS/c1-10-4-7(11)8-2-6(3-9)5-12-8/h2,5,10H,4H2,1H3
InChIKeyJZDIUVQINXMDHN-UHFFFAOYSA-N
XLogP1.02
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(methylamino)acetyl]thiophene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyanothiophene-2-carboxamide;ethane
CID 170761979
3,4-dimethyl-5-[2-(methylamino)acetyl]benzonitrile
CID 117291022
methyl N-(4-cyanothiophen-2-yl)carbamate
CID 174436437
N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide
CID 97003299
N-(1-adamantyl)-4-cyano-N-(2-cyanoethyl)thiophene-2-carboxamide
CID 99823504
4-cyano-N-[3-(1-fluoroethyl)phenyl]thiophene-2-carboxamide
CID 166386867
4-cyano-N-[(1S)-1-(3-hydroxyphenyl)ethyl]thiophene-2-carboxamide
CID 166233411
4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 154840868
5-(1-hydroxy-2-methylpropyl)thiophene-3-carbonitrile
CID 22393666
4-[(4-cyanothiophen-2-yl)methyl]benzoic acid
CID 66622007
5-[(sulfanylamino)methyl]thiophene-3-carbonitrile
CID 163226439
[2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid
CID 172680009

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)acetyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[2-(methylamino)acetyl]thiophene-3-carbonitrile (CID 82408925) is 5-[2-(methylamino)acetyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[2-(methylamino)acetyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[2-(methylamino)acetyl]thiophene-3-carbonitrile is CNCC(=O)c1cc(C#N)cs1.
What is the InChIKey of 5-[2-(methylamino)acetyl]thiophene-3-carbonitrile?
The InChIKey is JZDIUVQINXMDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-10-4-7(11)8-2-6(3-9)5-12-8/h2,5,10H,4H2,1H3.
What are the key properties of 5-[2-(methylamino)acetyl]thiophene-3-carbonitrile?
5-[2-(methylamino)acetyl]thiophene-3-carbonitrile has a molecular weight of 180.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)acetyl]thiophene-3-carbonitrile is sourced from PubChem (CID 82408925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).