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

C5H7NO2S — CID 3539492

IUPAC3-acetyl-1,3-thiazolidin-2-one
SMILESCC(=O)N1CCSC1=O
InChIInChI=1S/C5H7NO2S/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3
InChIKeySFOSMNUQKPZHHC-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.70
Rot. Bonds

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

3-acetyl-1,3-thiazolidin-2-one (PubChem CID 3539492) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-acetyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-acetyl-1,3-thiazolidin-2-one
PubChem CID3539492
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name3-acetyl-1,3-thiazolidin-2-one
SMILESCC(=O)N1CCSC1=O
InChIInChI=1S/C5H7NO2S/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3
InChIKeySFOSMNUQKPZHHC-UHFFFAOYSA-N
XLogP0.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.70
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-acetyl-1,3-thiazolidin-2-one?
The IUPAC name of 3-acetyl-1,3-thiazolidin-2-one (CID 3539492) is 3-acetyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-acetyl-1,3-thiazolidin-2-one?
The canonical SMILES for 3-acetyl-1,3-thiazolidin-2-one is CC(=O)N1CCSC1=O.
What is the InChIKey of 3-acetyl-1,3-thiazolidin-2-one?
The InChIKey is SFOSMNUQKPZHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3.
What are the key properties of 3-acetyl-1,3-thiazolidin-2-one?
3-acetyl-1,3-thiazolidin-2-one has a molecular weight of 145.18 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 3539492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).