2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide

C5H6N2O3S — CID 87421132

IUPAC2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
SMILESNC(=O)CN1C(=O)CSC1=O
InChIInChI=1S/C5H6N2O3S/c6-3(8)1-7-4(9)2-11-5(7)10/h1-2H2,(H2,6,8)
InChIKeyUXCKKOYSAUSIJU-UHFFFAOYSA-N
MW174.18 g/mol
LogP-0.83
Rot. Bonds2

About 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide

2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 87421132) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID87421132
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
SMILESNC(=O)CN1C(=O)CSC1=O
InChIInChI=1S/C5H6N2O3S/c6-3(8)1-7-4(9)2-11-5(7)10/h1-2H2,(H2,6,8)
InChIKeyUXCKKOYSAUSIJU-UHFFFAOYSA-N
XLogP-0.83
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide 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-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide (CID 87421132) is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide is NC(=O)CN1C(=O)CSC1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is UXCKKOYSAUSIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c6-3(8)1-7-4(9)2-11-5(7)10/h1-2H2,(H2,6,8).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 174.18 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 87421132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).