4-aminothiophene-2-carbonitrile;hydrochloride

C5H5ClN2S — CID 20503622

IUPAC4-aminothiophene-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc(N)cs1
InChIInChI=1S/C5H4N2S.ClH/c6-2-5-1-4(7)3-8-5;/h1,3H,7H2;1H
InChIKeyYWOQTQNVCKUHPO-UHFFFAOYSA-N
MW160.63 g/mol
LogP1.62
Rot. Bonds

About 4-aminothiophene-2-carbonitrile;hydrochloride

4-aminothiophene-2-carbonitrile;hydrochloride (PubChem CID 20503622) has the molecular formula C5H5ClN2S and a molecular weight of 160.63 g/mol. Its IUPAC name is 4-aminothiophene-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-aminothiophene-2-carbonitrile;hydrochloride
PubChem CID20503622
Molecular FormulaC5H5ClN2S
Molecular Weight160.63 g/mol
Exact Mass159.99
IUPAC Name4-aminothiophene-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc(N)cs1
InChIInChI=1S/C5H4N2S.ClH/c6-2-5-1-4(7)3-8-5;/h1,3H,7H2;1H
InChIKeyYWOQTQNVCKUHPO-UHFFFAOYSA-N
XLogP1.62
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.63
LogP ≤ 51.62
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;hydrochloride?
The IUPAC name of 4-aminothiophene-2-carbonitrile;hydrochloride (CID 20503622) is 4-aminothiophene-2-carbonitrile;hydrochloride.
What is the SMILES notation for 4-aminothiophene-2-carbonitrile;hydrochloride?
The canonical SMILES for 4-aminothiophene-2-carbonitrile;hydrochloride is Cl.N#Cc1cc(N)cs1.
What is the InChIKey of 4-aminothiophene-2-carbonitrile;hydrochloride?
The InChIKey is YWOQTQNVCKUHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S.ClH/c6-2-5-1-4(7)3-8-5;/h1,3H,7H2;1H.
What are the key properties of 4-aminothiophene-2-carbonitrile;hydrochloride?
4-aminothiophene-2-carbonitrile;hydrochloride has a molecular weight of 160.63 g/mol, XLogP of 1.62, 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;hydrochloride is sourced from PubChem (CID 20503622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).