2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile

C13H11ClN2S — CID 55023917

IUPAC2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile
SMILESCC(Nc1cccc(Cl)c1C#N)c1cccs1
InChIInChI=1S/C13H11ClN2S/c1-9(13-6-3-7-17-13)16-12-5-2-4-11(14)10(12)8-15/h2-7,9,16H,1H3
InChIKeyPQHOVYVBIBCRRZ-UHFFFAOYSA-N
MW262.77 g/mol
LogP4.45
Rot. Bonds3

About 2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile

2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile (PubChem CID 55023917) has the molecular formula C13H11ClN2S and a molecular weight of 262.77 g/mol. Its IUPAC name is 2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile
PubChem CID55023917
Molecular FormulaC13H11ClN2S
Molecular Weight262.77 g/mol
Exact Mass262.03
IUPAC Name2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile
SMILESCC(Nc1cccc(Cl)c1C#N)c1cccs1
InChIInChI=1S/C13H11ClN2S/c1-9(13-6-3-7-17-13)16-12-5-2-4-11(14)10(12)8-15/h2-7,9,16H,1H3
InChIKeyPQHOVYVBIBCRRZ-UHFFFAOYSA-N
XLogP4.45
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.77
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile
CID 43399529
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2-chloro-6-(1-ethoxypropan-2-ylamino)benzonitrile
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2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile
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5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline
CID 43438364
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
CID 43682936
5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43109746
4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile?
The IUPAC name of 2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile (CID 55023917) is 2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile.
What is the SMILES notation for 2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile?
The canonical SMILES for 2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile is CC(Nc1cccc(Cl)c1C#N)c1cccs1.
What is the InChIKey of 2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile?
The InChIKey is PQHOVYVBIBCRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S/c1-9(13-6-3-7-17-13)16-12-5-2-4-11(14)10(12)8-15/h2-7,9,16H,1H3.
What are the key properties of 2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile?
2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile has a molecular weight of 262.77 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile is sourced from PubChem (CID 55023917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).