3-(2-hydroxyethyl)-1,3-thiazolidin-4-one

C5H9NO2S — CID 3685883

IUPAC3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCO
InChIInChI=1S/C5H9NO2S/c7-2-1-6-4-9-3-5(6)8/h7H,1-4H2
InChIKeyJTXAAGHFMOHIFQ-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.49
Rot. Bonds2

About 3-(2-hydroxyethyl)-1,3-thiazolidin-4-one

3-(2-hydroxyethyl)-1,3-thiazolidin-4-one (PubChem CID 3685883) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
PubChem CID3685883
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCO
InChIInChI=1S/C5H9NO2S/c7-2-1-6-4-9-3-5(6)8/h7H,1-4H2
InChIKeyJTXAAGHFMOHIFQ-UHFFFAOYSA-N
XLogP-0.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-1,3-thiazolidin-4-one (CID 3685883) is 3-(2-hydroxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-1,3-thiazolidin-4-one is O=C1CSCN1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is JTXAAGHFMOHIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c7-2-1-6-4-9-3-5(6)8/h7H,1-4H2.
What are the key properties of 3-(2-hydroxyethyl)-1,3-thiazolidin-4-one?
3-(2-hydroxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 147.20 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3685883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).