2-amino-5-thiophen-3-ylbenzonitrile

C11H8N2S — CID 23434182

IUPAC2-amino-5-thiophen-3-ylbenzonitrile
SMILESN#Cc1cc(-c2ccsc2)ccc1N
InChIInChI=1S/C11H8N2S/c12-6-10-5-8(1-2-11(10)13)9-3-4-14-7-9/h1-5,7H,13H2
InChIKeyBXTKZMZZQPYRPF-UHFFFAOYSA-N
MW200.27 g/mol
LogP2.87
Rot. Bonds1

About 2-amino-5-thiophen-3-ylbenzonitrile

2-amino-5-thiophen-3-ylbenzonitrile (PubChem CID 23434182) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-amino-5-thiophen-3-ylbenzonitrile.

Molecular Properties

Compound Name2-amino-5-thiophen-3-ylbenzonitrile
PubChem CID23434182
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name2-amino-5-thiophen-3-ylbenzonitrile
SMILESN#Cc1cc(-c2ccsc2)ccc1N
InChIInChI=1S/C11H8N2S/c12-6-10-5-8(1-2-11(10)13)9-3-4-14-7-9/h1-5,7H,13H2
InChIKeyBXTKZMZZQPYRPF-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 2-amino-5-thiophen-3-ylbenzonitrile?
The IUPAC name of 2-amino-5-thiophen-3-ylbenzonitrile (CID 23434182) is 2-amino-5-thiophen-3-ylbenzonitrile.
What is the SMILES notation for 2-amino-5-thiophen-3-ylbenzonitrile?
The canonical SMILES for 2-amino-5-thiophen-3-ylbenzonitrile is N#Cc1cc(-c2ccsc2)ccc1N.
What is the InChIKey of 2-amino-5-thiophen-3-ylbenzonitrile?
The InChIKey is BXTKZMZZQPYRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c12-6-10-5-8(1-2-11(10)13)9-3-4-14-7-9/h1-5,7H,13H2.
What are the key properties of 2-amino-5-thiophen-3-ylbenzonitrile?
2-amino-5-thiophen-3-ylbenzonitrile 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 2-amino-5-thiophen-3-ylbenzonitrile is sourced from PubChem (CID 23434182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).