5-methyl-1-oxo-1,2-thiazolidin-3-one

C4H7NO2S — CID 67121918

IUPAC5-methyl-1-oxo-1,2-thiazolidin-3-one
SMILESCC1CC(=O)NS1=O
InChIInChI=1S/C4H7NO2S/c1-3-2-4(6)5-8(3)7/h3H,2H2,1H3,(H,5,6)
InChIKeyKQVUGOABVSWNKR-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.44
Rot. Bonds

About 5-methyl-1-oxo-1,2-thiazolidin-3-one

5-methyl-1-oxo-1,2-thiazolidin-3-one (PubChem CID 67121918) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is 5-methyl-1-oxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name5-methyl-1-oxo-1,2-thiazolidin-3-one
PubChem CID67121918
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name5-methyl-1-oxo-1,2-thiazolidin-3-one
SMILESCC1CC(=O)NS1=O
InChIInChI=1S/C4H7NO2S/c1-3-2-4(6)5-8(3)7/h3H,2H2,1H3,(H,5,6)
InChIKeyKQVUGOABVSWNKR-UHFFFAOYSA-N
XLogP-0.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-oxo-1,2-thiazolidin-3-one?
The IUPAC name of 5-methyl-1-oxo-1,2-thiazolidin-3-one (CID 67121918) is 5-methyl-1-oxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 5-methyl-1-oxo-1,2-thiazolidin-3-one?
The canonical SMILES for 5-methyl-1-oxo-1,2-thiazolidin-3-one is CC1CC(=O)NS1=O.
What is the InChIKey of 5-methyl-1-oxo-1,2-thiazolidin-3-one?
The InChIKey is KQVUGOABVSWNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c1-3-2-4(6)5-8(3)7/h3H,2H2,1H3,(H,5,6).
What are the key properties of 5-methyl-1-oxo-1,2-thiazolidin-3-one?
5-methyl-1-oxo-1,2-thiazolidin-3-one has a molecular weight of 133.17 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-oxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 67121918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).