3-methyl-1,3-thiazolidine-2,4-dione

C4H5NO2S — CID 1282062

IUPAC3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)CSC1=O
InChIInChI=1S/C4H5NO2S/c1-5-3(6)2-8-4(5)7/h2H2,1H3
InChIKeyHMLWNNMYODLLJO-UHFFFAOYSA-N
MW131.16 g/mol
LogP0.31
Rot. Bonds

About 3-methyl-1,3-thiazolidine-2,4-dione

3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 1282062) has the molecular formula C4H5NO2S and a molecular weight of 131.16 g/mol. Its IUPAC name is 3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID1282062
Molecular FormulaC4H5NO2S
Molecular Weight131.16 g/mol
Exact Mass131.00
IUPAC Name3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)CSC1=O
InChIInChI=1S/C4H5NO2S/c1-5-3(6)2-8-4(5)7/h2H2,1H3
InChIKeyHMLWNNMYODLLJO-UHFFFAOYSA-N
XLogP0.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-methyl-1,3-thiazolidine-2,4-dione (CID 1282062) is 3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-methyl-1,3-thiazolidine-2,4-dione is CN1C(=O)CSC1=O.
What is the InChIKey of 3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is HMLWNNMYODLLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S/c1-5-3(6)2-8-4(5)7/h2H2,1H3.
What are the key properties of 3-methyl-1,3-thiazolidine-2,4-dione?
3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 131.16 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1282062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).