3-(hydroxymethyl)-1,3-thiazolidin-2-one

C4H7NO2S — CID 45087550

IUPAC3-(hydroxymethyl)-1,3-thiazolidin-2-one
SMILESO=C1SCCN1CO
InChIInChI=1S/C4H7NO2S/c6-3-5-1-2-8-4(5)7/h6H,1-3H2
InChIKeyFKSXPPYUCSOSRD-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.10
Rot. Bonds1

About 3-(hydroxymethyl)-1,3-thiazolidin-2-one

3-(hydroxymethyl)-1,3-thiazolidin-2-one (PubChem CID 45087550) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-1,3-thiazolidin-2-one
PubChem CID45087550
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name3-(hydroxymethyl)-1,3-thiazolidin-2-one
SMILESO=C1SCCN1CO
InChIInChI=1S/C4H7NO2S/c6-3-5-1-2-8-4(5)7/h6H,1-3H2
InChIKeyFKSXPPYUCSOSRD-UHFFFAOYSA-N
XLogP0.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
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-(hydroxymethyl)-1,3-thiazolidin-2-one?
The IUPAC name of 3-(hydroxymethyl)-1,3-thiazolidin-2-one (CID 45087550) is 3-(hydroxymethyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-1,3-thiazolidin-2-one is O=C1SCCN1CO.
What is the InChIKey of 3-(hydroxymethyl)-1,3-thiazolidin-2-one?
The InChIKey is FKSXPPYUCSOSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c6-3-5-1-2-8-4(5)7/h6H,1-3H2.
What are the key properties of 3-(hydroxymethyl)-1,3-thiazolidin-2-one?
3-(hydroxymethyl)-1,3-thiazolidin-2-one has a molecular weight of 133.17 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 45087550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).