4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile

C8H8N2S — CID 169463120

IUPAC4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile
SMILESN#Cc1cc(C=CCN)cs1
InChIInChI=1S/C8H8N2S/c9-3-1-2-7-4-8(5-10)11-6-7/h1-2,4,6H,3,9H2
InChIKeyFVQWAKVIRMIVSJ-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.59
Rot. Bonds2

About 4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile

4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile (PubChem CID 169463120) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile
PubChem CID169463120
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile
SMILESN#Cc1cc(C=CCN)cs1
InChIInChI=1S/C8H8N2S/c9-3-1-2-7-4-8(5-10)11-6-7/h1-2,4,6H,3,9H2
InChIKeyFVQWAKVIRMIVSJ-UHFFFAOYSA-N
XLogP1.59
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile?
The IUPAC name of 4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile (CID 169463120) is 4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile.
What is the SMILES notation for 4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile?
The canonical SMILES for 4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile is N#Cc1cc(C=CCN)cs1.
What is the InChIKey of 4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile?
The InChIKey is FVQWAKVIRMIVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c9-3-1-2-7-4-8(5-10)11-6-7/h1-2,4,6H,3,9H2.
What are the key properties of 4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile?
4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile has a molecular weight of 164.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-enyl)thiophene-2-carbonitrile is sourced from PubChem (CID 169463120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).