2-formamidothiophene-3-carboxylic acid

C6H5NO3S — CID 3557280

IUPAC2-formamidothiophene-3-carboxylic acid
SMILESO=CNc1sccc1C(=O)O
InChIInChI=1S/C6H5NO3S/c8-3-7-5-4(6(9)10)1-2-11-5/h1-3H,(H,7,8)(H,9,10)
InChIKeyZWSJWGDWLCBNLV-UHFFFAOYSA-N
MW171.18 g/mol
LogP1.01
Rot. Bonds3

About 2-formamidothiophene-3-carboxylic acid

2-formamidothiophene-3-carboxylic acid (PubChem CID 3557280) has the molecular formula C6H5NO3S and a molecular weight of 171.18 g/mol. Its IUPAC name is 2-formamidothiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-formamidothiophene-3-carboxylic acid
PubChem CID3557280
Molecular FormulaC6H5NO3S
Molecular Weight171.18 g/mol
Exact Mass171.00
IUPAC Name2-formamidothiophene-3-carboxylic acid
SMILESO=CNc1sccc1C(=O)O
InChIInChI=1S/C6H5NO3S/c8-3-7-5-4(6(9)10)1-2-11-5/h1-3H,(H,7,8)(H,9,10)
InChIKeyZWSJWGDWLCBNLV-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formamidothiophene-3-carboxylic acid?
The IUPAC name of 2-formamidothiophene-3-carboxylic acid (CID 3557280) is 2-formamidothiophene-3-carboxylic acid.
What is the SMILES notation for 2-formamidothiophene-3-carboxylic acid?
The canonical SMILES for 2-formamidothiophene-3-carboxylic acid is O=CNc1sccc1C(=O)O.
What is the InChIKey of 2-formamidothiophene-3-carboxylic acid?
The InChIKey is ZWSJWGDWLCBNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3S/c8-3-7-5-4(6(9)10)1-2-11-5/h1-3H,(H,7,8)(H,9,10).
What are the key properties of 2-formamidothiophene-3-carboxylic acid?
2-formamidothiophene-3-carboxylic acid has a molecular weight of 171.18 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamidothiophene-3-carboxylic acid is sourced from PubChem (CID 3557280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).