3-(Carboxyformamido)thiophene-2-carboxylic acid

C7H5NO5S — CID 44359299

IUPAC3-(oxaloamino)thiophene-2-carboxylic acid
SMILESC1=CSC(=C1NC(=O)C(=O)O)C(=O)O
InChIInChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
InChIKeyFWYVBNVUABXDKL-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.10
Rot. Bonds3

About 3-(Carboxyformamido)thiophene-2-carboxylic acid

3-(Carboxyformamido)thiophene-2-carboxylic acid (PubChem CID 44359299) has the molecular formula C7H5NO5S and a molecular weight of 215.19 g/mol. Its IUPAC name is 3-(oxaloamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(Carboxyformamido)thiophene-2-carboxylic acid
PubChem CID44359299
Molecular FormulaC7H5NO5S
Molecular Weight215.19 g/mol
Exact Mass214.99
IUPAC Name3-(oxaloamino)thiophene-2-carboxylic acid
SMILESC1=CSC(=C1NC(=O)C(=O)O)C(=O)O
InChIInChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
InChIKeyFWYVBNVUABXDKL-UHFFFAOYSA-N
XLogP1.10
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity279

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(Carboxyformamido)thiophene-2-carboxylic acid?
The IUPAC name of 3-(Carboxyformamido)thiophene-2-carboxylic acid (CID 44359299) is 3-(oxaloamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(Carboxyformamido)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(Carboxyformamido)thiophene-2-carboxylic acid is C1=CSC(=C1NC(=O)C(=O)O)C(=O)O.
What is the InChIKey of 3-(Carboxyformamido)thiophene-2-carboxylic acid?
The InChIKey is FWYVBNVUABXDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 3-(Carboxyformamido)thiophene-2-carboxylic acid?
3-(Carboxyformamido)thiophene-2-carboxylic acid has a molecular weight of 215.19 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(Carboxyformamido)thiophene-2-carboxylic acid is sourced from PubChem (CID 44359299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).