2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid

C8H8N2O4S2 — CID 2731754

IUPAC2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc([N+](=O)[O-])s2)N1
InChIInChI=1S/C8H8N2O4S2/c11-8(12)4-3-15-7(9-4)5-1-2-6(16-5)10(13)14/h1-2,4,7,9H,3H2,(H,11,12)
InChIKeyWNEKIYRMXWCTGY-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.44
Rot. Bonds3

About 2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid

2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 2731754) has the molecular formula C8H8N2O4S2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID2731754
Molecular FormulaC8H8N2O4S2
Molecular Weight260.30 g/mol
Exact Mass259.99
IUPAC Name2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc([N+](=O)[O-])s2)N1
InChIInChI=1S/C8H8N2O4S2/c11-8(12)4-3-15-7(9-4)5-1-2-6(16-5)10(13)14/h1-2,4,7,9H,3H2,(H,11,12)
InChIKeyWNEKIYRMXWCTGY-UHFFFAOYSA-N
XLogP1.44
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.44
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'}

Analyze 2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid (CID 2731754) is 2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccc([N+](=O)[O-])s2)N1.
What is the InChIKey of 2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WNEKIYRMXWCTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S2/c11-8(12)4-3-15-7(9-4)5-1-2-6(16-5)10(13)14/h1-2,4,7,9H,3H2,(H,11,12).
What are the key properties of 2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitrothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 2731754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).