3-aminothiophene-2-carboxylic acid;hydrochloride

C5H6ClNO2S — CID 44890829

IUPAC3-aminothiophene-2-carboxylic acid;hydrochloride
SMILESCl.Nc1ccsc1C(=O)O
InChIInChI=1S/C5H5NO2S.ClH/c6-3-1-2-9-4(3)5(7)8;/h1-2H,6H2,(H,7,8);1H
InChIKeyPXVZAKMJAWZMGF-UHFFFAOYSA-N
MW179.63 g/mol
LogP1.45
Rot. Bonds1

About 3-aminothiophene-2-carboxylic acid;hydrochloride

3-aminothiophene-2-carboxylic acid;hydrochloride (PubChem CID 44890829) has the molecular formula C5H6ClNO2S and a molecular weight of 179.63 g/mol. Its IUPAC name is 3-aminothiophene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-aminothiophene-2-carboxylic acid;hydrochloride
PubChem CID44890829
Molecular FormulaC5H6ClNO2S
Molecular Weight179.63 g/mol
Exact Mass178.98
IUPAC Name3-aminothiophene-2-carboxylic acid;hydrochloride
SMILESCl.Nc1ccsc1C(=O)O
InChIInChI=1S/C5H5NO2S.ClH/c6-3-1-2-9-4(3)5(7)8;/h1-2H,6H2,(H,7,8);1H
InChIKeyPXVZAKMJAWZMGF-UHFFFAOYSA-N
XLogP1.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.63
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-aminothiophene-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-aminothiophene-2-carboxylic acid;hydrochloride (CID 44890829) is 3-aminothiophene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-aminothiophene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-aminothiophene-2-carboxylic acid;hydrochloride is Cl.Nc1ccsc1C(=O)O.
What is the InChIKey of 3-aminothiophene-2-carboxylic acid;hydrochloride?
The InChIKey is PXVZAKMJAWZMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S.ClH/c6-3-1-2-9-4(3)5(7)8;/h1-2H,6H2,(H,7,8);1H.
What are the key properties of 3-aminothiophene-2-carboxylic acid;hydrochloride?
3-aminothiophene-2-carboxylic acid;hydrochloride has a molecular weight of 179.63 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminothiophene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 44890829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).