2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione

C5H8N2O2S — CID 87765097

IUPAC2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione
SMILESNCCC1NC(=O)C(=O)S1
InChIInChI=1S/C5H8N2O2S/c6-2-1-3-7-4(8)5(9)10-3/h3H,1-2,6H2,(H,7,8)
InChIKeySTELDEBCSGKYOA-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.95
Rot. Bonds2

About 2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione

2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione (PubChem CID 87765097) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione.

Molecular Properties

Compound Name2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione
PubChem CID87765097
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione
SMILESNCCC1NC(=O)C(=O)S1
InChIInChI=1S/C5H8N2O2S/c6-2-1-3-7-4(8)5(9)10-3/h3H,1-2,6H2,(H,7,8)
InChIKeySTELDEBCSGKYOA-UHFFFAOYSA-N
XLogP-0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione 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-(2-aminoethyl)-1,3-thiazolidine-4,5-dione?
The IUPAC name of 2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione (CID 87765097) is 2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione.
What is the SMILES notation for 2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione?
The canonical SMILES for 2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione is NCCC1NC(=O)C(=O)S1.
What is the InChIKey of 2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione?
The InChIKey is STELDEBCSGKYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c6-2-1-3-7-4(8)5(9)10-3/h3H,1-2,6H2,(H,7,8).
What are the key properties of 2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione?
2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione has a molecular weight of 160.20 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1,3-thiazolidine-4,5-dione is sourced from PubChem (CID 87765097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).