2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile

C13H11ClN2S — CID 60678010

IUPAC2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
SMILESCN(Cc1ccsc1)c1cccc(Cl)c1C#N
InChIInChI=1S/C13H11ClN2S/c1-16(8-10-5-6-17-9-10)13-4-2-3-12(14)11(13)7-15/h2-6,9H,8H2,1H3
InChIKeyHHAKYYLYIBWVGT-UHFFFAOYSA-N
MW262.77 g/mol
LogP3.91
Rot. Bonds3

About 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile

2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile (PubChem CID 60678010) has the molecular formula C13H11ClN2S and a molecular weight of 262.77 g/mol. Its IUPAC name is 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
PubChem CID60678010
Molecular FormulaC13H11ClN2S
Molecular Weight262.77 g/mol
Exact Mass262.03
IUPAC Name2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
SMILESCN(Cc1ccsc1)c1cccc(Cl)c1C#N
InChIInChI=1S/C13H11ClN2S/c1-16(8-10-5-6-17-9-10)13-4-2-3-12(14)11(13)7-15/h2-6,9H,8H2,1H3
InChIKeyHHAKYYLYIBWVGT-UHFFFAOYSA-N
XLogP3.91
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.77
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile 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

2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile
CID 62497687
2-[butyl(methyl)amino]-6-chlorobenzonitrile
CID 60678513
3-methyl-4-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 54934515
2-chloro-1-N-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 43528045
2-chloro-N-methyl-4-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
CID 81148615
2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 55161481
2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile
CID 83072800
2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile
CID 79720085
2-(3-chloro-2-cyano-N-methylanilino)-N,N-diethylacetamide
CID 60678246
3-(3-chloro-2-cyano-N-methylanilino)-N-methylpropanamide
CID 106915465
2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide
CID 115544836
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55189238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile?
The IUPAC name of 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile (CID 60678010) is 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile.
What is the SMILES notation for 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile?
The canonical SMILES for 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile is CN(Cc1ccsc1)c1cccc(Cl)c1C#N.
What is the InChIKey of 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile?
The InChIKey is HHAKYYLYIBWVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S/c1-16(8-10-5-6-17-9-10)13-4-2-3-12(14)11(13)7-15/h2-6,9H,8H2,1H3.
What are the key properties of 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile?
2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile has a molecular weight of 262.77 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile is sourced from PubChem (CID 60678010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).