2-methyl-1-oxo-1,3-thiazolidin-4-one

C4H7NO2S — CID 154318690

IUPAC2-methyl-1-oxo-1,3-thiazolidin-4-one
SMILESCC1NC(=O)CS1=O
InChIInChI=1S/C4H7NO2S/c1-3-5-4(6)2-8(3)7/h3H,2H2,1H3,(H,5,6)
InChIKeyDYGLTXWVAPIXKG-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.79
Rot. Bonds

About 2-methyl-1-oxo-1,3-thiazolidin-4-one

2-methyl-1-oxo-1,3-thiazolidin-4-one (PubChem CID 154318690) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-methyl-1-oxo-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-methyl-1-oxo-1,3-thiazolidin-4-one
PubChem CID154318690
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name2-methyl-1-oxo-1,3-thiazolidin-4-one
SMILESCC1NC(=O)CS1=O
InChIInChI=1S/C4H7NO2S/c1-3-5-4(6)2-8(3)7/h3H,2H2,1H3,(H,5,6)
InChIKeyDYGLTXWVAPIXKG-UHFFFAOYSA-N
XLogP-0.79
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 ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxo-1,3-thiazolidin-4-one?
The IUPAC name of 2-methyl-1-oxo-1,3-thiazolidin-4-one (CID 154318690) is 2-methyl-1-oxo-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-methyl-1-oxo-1,3-thiazolidin-4-one?
The canonical SMILES for 2-methyl-1-oxo-1,3-thiazolidin-4-one is CC1NC(=O)CS1=O.
What is the InChIKey of 2-methyl-1-oxo-1,3-thiazolidin-4-one?
The InChIKey is DYGLTXWVAPIXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c1-3-5-4(6)2-8(3)7/h3H,2H2,1H3,(H,5,6).
What are the key properties of 2-methyl-1-oxo-1,3-thiazolidin-4-one?
2-methyl-1-oxo-1,3-thiazolidin-4-one has a molecular weight of 133.17 g/mol, XLogP of -0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxo-1,3-thiazolidin-4-one is sourced from PubChem (CID 154318690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).