2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid

C6H7NO4S — CID 2793673

IUPAC2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid
SMILESCN1C(=O)SC(CC(=O)O)C1=O
InChIInChI=1S/C6H7NO4S/c1-7-5(10)3(2-4(8)9)12-6(7)11/h3H,2H2,1H3,(H,8,9)
InChIKeyDTDAHRTUQJWDJJ-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.15
Rot. Bonds2

About 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid

2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid (PubChem CID 2793673) has the molecular formula C6H7NO4S and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid
PubChem CID2793673
Molecular FormulaC6H7NO4S
Molecular Weight189.19 g/mol
Exact Mass189.01
IUPAC Name2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid
SMILESCN1C(=O)SC(CC(=O)O)C1=O
InChIInChI=1S/C6H7NO4S/c1-7-5(10)3(2-4(8)9)12-6(7)11/h3H,2H2,1H3,(H,8,9)
InChIKeyDTDAHRTUQJWDJJ-UHFFFAOYSA-N
XLogP0.15
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-Methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
CID 12562598
(3-Ethyl-2,4-dioxo-thiazolidin-5-yl)-acetic acid
CID 2793672
2-(3-Butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
CID 12562600
2-(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
CID 59121438
2-[(5S)-3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid
CID 125475773
2-(4-Oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
CID 132517772
(2,4-Dioxo-3-propyl-1,3-thiazolidin-5-YL)acetic acid
CID 2793671
2-Acetylsulfanyl-4-(2,5-dioxopyrrolidin-1-yl)butanoic acid
CID 22639894
4-(2,4-Dioxothiazolidin-3-yl)butanoic acid
CID 30059556
3-(1-Methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid
CID 43638372
4-Oxo-4-(1,3-thiazolidin-3-yl)butanoic acid
CID 53711986
2-(2,2,3-Trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid
CID 59555264

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid?
The IUPAC name of 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid (CID 2793673) is 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid is CN1C(=O)SC(CC(=O)O)C1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid?
The InChIKey is DTDAHRTUQJWDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4S/c1-7-5(10)3(2-4(8)9)12-6(7)11/h3H,2H2,1H3,(H,8,9).
What are the key properties of 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid?
2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid has a molecular weight of 189.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid is sourced from PubChem (CID 2793673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).