1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile

C16H14N2S — CID 22689226

IUPAC1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile
SMILESCn1c(CCc2cccs2)c(C#N)c2ccccc21
InChIInChI=1S/C16H14N2S/c1-18-15-7-3-2-6-13(15)14(11-17)16(18)9-8-12-5-4-10-19-12/h2-7,10H,8-9H2,1H3
InChIKeyDFVLGGHIUIVCKX-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.90
Rot. Bonds3

About 1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile

1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile (PubChem CID 22689226) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile
PubChem CID22689226
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile
SMILESCn1c(CCc2cccs2)c(C#N)c2ccccc21
InChIInChI=1S/C16H14N2S/c1-18-15-7-3-2-6-13(15)14(11-17)16(18)9-8-12-5-4-10-19-12/h2-7,10H,8-9H2,1H3
InChIKeyDFVLGGHIUIVCKX-UHFFFAOYSA-N
XLogP3.90
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-(2-thiophen-2-ylethyl)indole-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

[1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine
CID 22689319
1-methyl-2-[(2-methylanilino)methyl]indole-3-carbonitrile
CID 748399
2-[(2-hydroxyanilino)methyl]-1-methylindole-3-carbonitrile
CID 739892
1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile
CID 1088159
N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 58080685
3-oxo-2-phenyl-2-(2-thiophen-2-ylethyl)butanenitrile
CID 66430725
2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110768844
2-but-3-enyl-3-ethynyl-1-methylindole
CID 102400826
1-(2-thiophen-2-ylethyl)-3,1-benzoxazine-2,4-dione
CID 11687680
5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63751809
1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol
CID 103128674
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile?
The IUPAC name of 1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile (CID 22689226) is 1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile.
What is the SMILES notation for 1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile?
The canonical SMILES for 1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile is Cn1c(CCc2cccs2)c(C#N)c2ccccc21.
What is the InChIKey of 1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile?
The InChIKey is DFVLGGHIUIVCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-18-15-7-3-2-6-13(15)14(11-17)16(18)9-8-12-5-4-10-19-12/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile?
1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile has a molecular weight of 266.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile is sourced from PubChem (CID 22689226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).