4-aminothiophene-2-carbonitrile

C5H4N2S — CID 13134990

IUPAC4-aminothiophene-2-carbonitrile
SMILESN#Cc1cc(N)cs1
InChIInChI=1S/C5H4N2S/c6-2-5-1-4(7)3-8-5/h1,3H,7H2
InChIKeyIAWDYANXQRLQKR-UHFFFAOYSA-N
MW124.17 g/mol
LogP1.20
Rot. Bonds

About 4-aminothiophene-2-carbonitrile

4-aminothiophene-2-carbonitrile (PubChem CID 13134990) has the molecular formula C5H4N2S and a molecular weight of 124.17 g/mol. Its IUPAC name is 4-aminothiophene-2-carbonitrile.

Molecular Properties

Compound Name4-aminothiophene-2-carbonitrile
PubChem CID13134990
Molecular FormulaC5H4N2S
Molecular Weight124.17 g/mol
Exact Mass124.01
IUPAC Name4-aminothiophene-2-carbonitrile
SMILESN#Cc1cc(N)cs1
InChIInChI=1S/C5H4N2S/c6-2-5-1-4(7)3-8-5/h1,3H,7H2
InChIKeyIAWDYANXQRLQKR-UHFFFAOYSA-N
XLogP1.20
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminothiophene-2-carbonitrile?
The IUPAC name of 4-aminothiophene-2-carbonitrile (CID 13134990) is 4-aminothiophene-2-carbonitrile.
What is the SMILES notation for 4-aminothiophene-2-carbonitrile?
The canonical SMILES for 4-aminothiophene-2-carbonitrile is N#Cc1cc(N)cs1.
What is the InChIKey of 4-aminothiophene-2-carbonitrile?
The InChIKey is IAWDYANXQRLQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S/c6-2-5-1-4(7)3-8-5/h1,3H,7H2.
What are the key properties of 4-aminothiophene-2-carbonitrile?
4-aminothiophene-2-carbonitrile has a molecular weight of 124.17 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminothiophene-2-carbonitrile is sourced from PubChem (CID 13134990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).