3-aminothiophene-2-carbonitrile

C5H4N2S — CID 10866327

IUPAC3-aminothiophene-2-carbonitrile
SMILESN#Cc1sccc1N
InChIInChI=1S/C5H4N2S/c6-3-5-4(7)1-2-8-5/h1-2H,7H2
InChIKeyMCAYHCFAVOLZLO-UHFFFAOYSA-N
MW124.17 g/mol
LogP1.20
Rot. Bonds

About 3-aminothiophene-2-carbonitrile

3-aminothiophene-2-carbonitrile (PubChem CID 10866327) has the molecular formula C5H4N2S and a molecular weight of 124.17 g/mol. Its IUPAC name is 3-aminothiophene-2-carbonitrile.

Molecular Properties

Compound Name3-aminothiophene-2-carbonitrile
PubChem CID10866327
Molecular FormulaC5H4N2S
Molecular Weight124.17 g/mol
Exact Mass124.01
IUPAC Name3-aminothiophene-2-carbonitrile
SMILESN#Cc1sccc1N
InChIInChI=1S/C5H4N2S/c6-3-5-4(7)1-2-8-5/h1-2H,7H2
InChIKeyMCAYHCFAVOLZLO-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 3-aminothiophene-2-carbonitrile?
The IUPAC name of 3-aminothiophene-2-carbonitrile (CID 10866327) is 3-aminothiophene-2-carbonitrile.
What is the SMILES notation for 3-aminothiophene-2-carbonitrile?
The canonical SMILES for 3-aminothiophene-2-carbonitrile is N#Cc1sccc1N.
What is the InChIKey of 3-aminothiophene-2-carbonitrile?
The InChIKey is MCAYHCFAVOLZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S/c6-3-5-4(7)1-2-8-5/h1-2H,7H2.
What are the key properties of 3-aminothiophene-2-carbonitrile?
3-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 3-aminothiophene-2-carbonitrile is sourced from PubChem (CID 10866327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).