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

C6H9NO2S — CID 23591475

IUPAC4-acetyl-3-methyl-1,3-thiazolidin-2-one
SMILESCC(=O)C1CSC(=O)N1C
InChIInChI=1S/C6H9NO2S/c1-4(8)5-3-10-6(9)7(5)2/h5H,3H2,1-2H3
InChIKeyXGLMPOCSOCZTOZ-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.74
Rot. Bonds1

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

4-acetyl-3-methyl-1,3-thiazolidin-2-one (PubChem CID 23591475) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 4-acetyl-3-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-acetyl-3-methyl-1,3-thiazolidin-2-one
PubChem CID23591475
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name4-acetyl-3-methyl-1,3-thiazolidin-2-one
SMILESCC(=O)C1CSC(=O)N1C
InChIInChI=1S/C6H9NO2S/c1-4(8)5-3-10-6(9)7(5)2/h5H,3H2,1-2H3
InChIKeyXGLMPOCSOCZTOZ-UHFFFAOYSA-N
XLogP0.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.74
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 4-acetyl-3-methyl-1,3-thiazolidin-2-one?
The IUPAC name of 4-acetyl-3-methyl-1,3-thiazolidin-2-one (CID 23591475) is 4-acetyl-3-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-acetyl-3-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for 4-acetyl-3-methyl-1,3-thiazolidin-2-one is CC(=O)C1CSC(=O)N1C.
What is the InChIKey of 4-acetyl-3-methyl-1,3-thiazolidin-2-one?
The InChIKey is XGLMPOCSOCZTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-4(8)5-3-10-6(9)7(5)2/h5H,3H2,1-2H3.
What are the key properties of 4-acetyl-3-methyl-1,3-thiazolidin-2-one?
4-acetyl-3-methyl-1,3-thiazolidin-2-one has a molecular weight of 159.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 23591475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).