2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid

C10H7NO3S2 — CID 16775428

IUPAC2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1cccs1
InChIInChI=1S/C10H7NO3S2/c12-8(7-2-1-4-15-7)11-9-6(10(13)14)3-5-16-9/h1-5H,(H,11,12)(H,13,14)
InChIKeyPVSFRRKDHKXBIW-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.76
Rot. Bonds3

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

2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 16775428) has the molecular formula C10H7NO3S2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid
PubChem CID16775428
Molecular FormulaC10H7NO3S2
Molecular Weight253.30 g/mol
Exact Mass252.99
IUPAC Name2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1cccs1
InChIInChI=1S/C10H7NO3S2/c12-8(7-2-1-4-15-7)11-9-6(10(13)14)3-5-16-9/h1-5H,(H,11,12)(H,13,14)
InChIKeyPVSFRRKDHKXBIW-UHFFFAOYSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid (CID 16775428) is 2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid is O=C(Nc1sccc1C(=O)O)c1cccs1.
What is the InChIKey of 2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is PVSFRRKDHKXBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3S2/c12-8(7-2-1-4-15-7)11-9-6(10(13)14)3-5-16-9/h1-5H,(H,11,12)(H,13,14).
What are the key properties of 2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid?
2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophene-2-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 16775428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).