2-(benzylamino)thiophene-3-carbonitrile

C12H10N2S — CID 82674431

IUPAC2-(benzylamino)thiophene-3-carbonitrile
SMILESN#Cc1ccsc1NCc1ccccc1
InChIInChI=1S/C12H10N2S/c13-8-11-6-7-15-12(11)14-9-10-4-2-1-3-5-10/h1-7,14H,9H2
InChIKeyYQIKHFWZCRLHLJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.23
Rot. Bonds3

About 2-(benzylamino)thiophene-3-carbonitrile

2-(benzylamino)thiophene-3-carbonitrile (PubChem CID 82674431) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(benzylamino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(benzylamino)thiophene-3-carbonitrile
PubChem CID82674431
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name2-(benzylamino)thiophene-3-carbonitrile
SMILESN#Cc1ccsc1NCc1ccccc1
InChIInChI=1S/C12H10N2S/c13-8-11-6-7-15-12(11)14-9-10-4-2-1-3-5-10/h1-7,14H,9H2
InChIKeyYQIKHFWZCRLHLJ-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)thiophene-3-carbonitrile?
The IUPAC name of 2-(benzylamino)thiophene-3-carbonitrile (CID 82674431) is 2-(benzylamino)thiophene-3-carbonitrile.
What is the SMILES notation for 2-(benzylamino)thiophene-3-carbonitrile?
The canonical SMILES for 2-(benzylamino)thiophene-3-carbonitrile is N#Cc1ccsc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)thiophene-3-carbonitrile?
The InChIKey is YQIKHFWZCRLHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c13-8-11-6-7-15-12(11)14-9-10-4-2-1-3-5-10/h1-7,14H,9H2.
What are the key properties of 2-(benzylamino)thiophene-3-carbonitrile?
2-(benzylamino)thiophene-3-carbonitrile has a molecular weight of 214.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)thiophene-3-carbonitrile is sourced from PubChem (CID 82674431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).