3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid

C10H6N2O6S — CID 2807582

IUPAC3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H6N2O6S/c13-9(6-1-2-7(18-6)12(16)17)11-5-3-4-19-8(5)10(14)15/h1-4H,(H,11,13)(H,14,15)
InChIKeyKJCZVOAIBZGWPL-UHFFFAOYSA-N
MW282.23 g/mol
LogP2.20
Rot. Bonds4

About 3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid

3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 2807582) has the molecular formula C10H6N2O6S and a molecular weight of 282.23 g/mol. Its IUPAC name is 3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID2807582
Molecular FormulaC10H6N2O6S
Molecular Weight282.23 g/mol
Exact Mass281.99
IUPAC Name3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H6N2O6S/c13-9(6-1-2-7(18-6)12(16)17)11-5-3-4-19-8(5)10(14)15/h1-4H,(H,11,13)(H,14,15)
InChIKeyKJCZVOAIBZGWPL-UHFFFAOYSA-N
XLogP2.20
TPSA122.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid (CID 2807582) is 3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid is O=C(Nc1ccsc1C(=O)O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is KJCZVOAIBZGWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O6S/c13-9(6-1-2-7(18-6)12(16)17)11-5-3-4-19-8(5)10(14)15/h1-4H,(H,11,13)(H,14,15).
What are the key properties of 3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid?
3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 282.23 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 2807582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).