2-anilino-2-thiophen-2-ylacetonitrile

C12H10N2S — CID 2771793

IUPAC2-anilino-2-thiophen-2-ylacetonitrile
SMILESN#CC(Nc1ccccc1)c1cccs1
InChIInChI=1S/C12H10N2S/c13-9-11(12-7-4-8-15-12)14-10-5-2-1-3-6-10/h1-8,11,14H
InChIKeyRZQZGSOEWZEYCX-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.42
Rot. Bonds3

About 2-anilino-2-thiophen-2-ylacetonitrile

2-anilino-2-thiophen-2-ylacetonitrile (PubChem CID 2771793) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-anilino-2-thiophen-2-ylacetonitrile.

Molecular Properties

Compound Name2-anilino-2-thiophen-2-ylacetonitrile
PubChem CID2771793
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name2-anilino-2-thiophen-2-ylacetonitrile
SMILESN#CC(Nc1ccccc1)c1cccs1
InChIInChI=1S/C12H10N2S/c13-9-11(12-7-4-8-15-12)14-10-5-2-1-3-6-10/h1-8,11,14H
InChIKeyRZQZGSOEWZEYCX-UHFFFAOYSA-N
XLogP3.42
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-thiophen-2-ylacetonitrile?
The IUPAC name of 2-anilino-2-thiophen-2-ylacetonitrile (CID 2771793) is 2-anilino-2-thiophen-2-ylacetonitrile.
What is the SMILES notation for 2-anilino-2-thiophen-2-ylacetonitrile?
The canonical SMILES for 2-anilino-2-thiophen-2-ylacetonitrile is N#CC(Nc1ccccc1)c1cccs1.
What is the InChIKey of 2-anilino-2-thiophen-2-ylacetonitrile?
The InChIKey is RZQZGSOEWZEYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c13-9-11(12-7-4-8-15-12)14-10-5-2-1-3-6-10/h1-8,11,14H.
What are the key properties of 2-anilino-2-thiophen-2-ylacetonitrile?
2-anilino-2-thiophen-2-ylacetonitrile has a molecular weight of 214.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-thiophen-2-ylacetonitrile is sourced from PubChem (CID 2771793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).