5-aminothiophene-2-carboxylic acid

C5H5NO2S — CID 19433970

IUPAC5-aminothiophene-2-carboxylic acid
SMILESNc1ccc(C(=O)O)s1
InChIInChI=1S/C5H5NO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,6H2,(H,7,8)
InChIKeyYZRVTSCLFRCFPW-UHFFFAOYSA-N
MW143.17 g/mol
LogP1.03
Rot. Bonds1

About 5-aminothiophene-2-carboxylic acid

5-aminothiophene-2-carboxylic acid (PubChem CID 19433970) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is 5-aminothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-aminothiophene-2-carboxylic acid
PubChem CID19433970
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name5-aminothiophene-2-carboxylic acid
SMILESNc1ccc(C(=O)O)s1
InChIInChI=1S/C5H5NO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,6H2,(H,7,8)
InChIKeyYZRVTSCLFRCFPW-UHFFFAOYSA-N
XLogP1.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-aminothiophene-2-carboxylic acid?
The IUPAC name of 5-aminothiophene-2-carboxylic acid (CID 19433970) is 5-aminothiophene-2-carboxylic acid.
What is the SMILES notation for 5-aminothiophene-2-carboxylic acid?
The canonical SMILES for 5-aminothiophene-2-carboxylic acid is Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-aminothiophene-2-carboxylic acid?
The InChIKey is YZRVTSCLFRCFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,6H2,(H,7,8).
What are the key properties of 5-aminothiophene-2-carboxylic acid?
5-aminothiophene-2-carboxylic acid has a molecular weight of 143.17 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminothiophene-2-carboxylic acid is sourced from PubChem (CID 19433970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).