2-methyl-1,3-thiazolidine-4,5-dione

C4H5NO2S — CID 19830574

IUPAC2-methyl-1,3-thiazolidine-4,5-dione
SMILESCC1NC(=O)C(=O)S1
InChIInChI=1S/C4H5NO2S/c1-2-5-3(6)4(7)8-2/h2H,1H3,(H,5,6)
InChIKeyLRMWOURLTDEUGM-UHFFFAOYSA-N
MW131.16 g/mol
LogP-0.28
Rot. Bonds

About 2-methyl-1,3-thiazolidine-4,5-dione

2-methyl-1,3-thiazolidine-4,5-dione (PubChem CID 19830574) has the molecular formula C4H5NO2S and a molecular weight of 131.16 g/mol. Its IUPAC name is 2-methyl-1,3-thiazolidine-4,5-dione.

Molecular Properties

Compound Name2-methyl-1,3-thiazolidine-4,5-dione
PubChem CID19830574
Molecular FormulaC4H5NO2S
Molecular Weight131.16 g/mol
Exact Mass131.00
IUPAC Name2-methyl-1,3-thiazolidine-4,5-dione
SMILESCC1NC(=O)C(=O)S1
InChIInChI=1S/C4H5NO2S/c1-2-5-3(6)4(7)8-2/h2H,1H3,(H,5,6)
InChIKeyLRMWOURLTDEUGM-UHFFFAOYSA-N
XLogP-0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Acetylthioglycine S-ethyl ester
CID 15553243
Methyl-4-thiazolidinone
CID 14405095
2-Ethyl-1,3-thiazolidin-4-one
CID 14405097
2-Ethyl-1,3-thiazolidine-4,5-dione
CID 22027203
2-Butyl-1,3-thiazolidine-4,5-dione
CID 23362693
N-methyl-1,3-thiazolidine-2-carboxamide
CID 53802836
4-Oxo-1,3-thiazolidine-2-carboxamide
CID 87540653
2-(2-Aminoethyl)-1,3-thiazolidine-4,5-dione
CID 87765097
S-propan-2-yl 2-acetamidoethanethioate
CID 89079877
4-Oxo-1,3-thiazolidine-2-carbaldehyde
CID 91229797
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-methylacetamide
CID 97624827
2-Methyl-1,3-thiazolidin-5-one
CID 126650042

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-thiazolidine-4,5-dione?
The IUPAC name of 2-methyl-1,3-thiazolidine-4,5-dione (CID 19830574) is 2-methyl-1,3-thiazolidine-4,5-dione.
What is the SMILES notation for 2-methyl-1,3-thiazolidine-4,5-dione?
The canonical SMILES for 2-methyl-1,3-thiazolidine-4,5-dione is CC1NC(=O)C(=O)S1.
What is the InChIKey of 2-methyl-1,3-thiazolidine-4,5-dione?
The InChIKey is LRMWOURLTDEUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S/c1-2-5-3(6)4(7)8-2/h2H,1H3,(H,5,6).
What are the key properties of 2-methyl-1,3-thiazolidine-4,5-dione?
2-methyl-1,3-thiazolidine-4,5-dione has a molecular weight of 131.16 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazolidine-4,5-dione is sourced from PubChem (CID 19830574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).