4-(4-aminophenyl)thiophene-2-carbonitrile

C11H8N2S — CID 131392476

IUPAC4-(4-aminophenyl)thiophene-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C11H8N2S/c12-6-11-5-9(7-14-11)8-1-3-10(13)4-2-8/h1-5,7H,13H2
InChIKeyLCAIQRDEMWNAQT-UHFFFAOYSA-N
MW200.27 g/mol
LogP2.87
Rot. Bonds1

About 4-(4-aminophenyl)thiophene-2-carbonitrile

4-(4-aminophenyl)thiophene-2-carbonitrile (PubChem CID 131392476) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 4-(4-aminophenyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name4-(4-aminophenyl)thiophene-2-carbonitrile
PubChem CID131392476
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name4-(4-aminophenyl)thiophene-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C11H8N2S/c12-6-11-5-9(7-14-11)8-1-3-10(13)4-2-8/h1-5,7H,13H2
InChIKeyLCAIQRDEMWNAQT-UHFFFAOYSA-N
XLogP2.87
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)thiophene-2-carbonitrile?
The IUPAC name of 4-(4-aminophenyl)thiophene-2-carbonitrile (CID 131392476) is 4-(4-aminophenyl)thiophene-2-carbonitrile.
What is the SMILES notation for 4-(4-aminophenyl)thiophene-2-carbonitrile?
The canonical SMILES for 4-(4-aminophenyl)thiophene-2-carbonitrile is N#Cc1cc(-c2ccc(N)cc2)cs1.
What is the InChIKey of 4-(4-aminophenyl)thiophene-2-carbonitrile?
The InChIKey is LCAIQRDEMWNAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c12-6-11-5-9(7-14-11)8-1-3-10(13)4-2-8/h1-5,7H,13H2.
What are the key properties of 4-(4-aminophenyl)thiophene-2-carbonitrile?
4-(4-aminophenyl)thiophene-2-carbonitrile has a molecular weight of 200.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)thiophene-2-carbonitrile is sourced from PubChem (CID 131392476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).