2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone

C5H9NO3S — CID 163723948

IUPAC2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone
SMILESO=C(CO)N1CCS(=O)C1
InChIInChI=1S/C5H9NO3S/c7-3-5(8)6-1-2-10(9)4-6/h7H,1-4H2
InChIKeyKTZTYQFJMVVILC-UHFFFAOYSA-N
MW163.20 g/mol
LogP-1.47
Rot. Bonds1

About 2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone

2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone (PubChem CID 163723948) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is 2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone
PubChem CID163723948
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC Name2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone
SMILESO=C(CO)N1CCS(=O)C1
InChIInChI=1S/C5H9NO3S/c7-3-5(8)6-1-2-10(9)4-6/h7H,1-4H2
InChIKeyKTZTYQFJMVVILC-UHFFFAOYSA-N
XLogP-1.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Thiazolidinone, 3-(2-hydroxyethyl)-
CID 3685883
5-Hydroxy-2,3-dimethyl-1,3-thiazolidin-4-one
CID 143892384

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone (CID 163723948) is 2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone is O=C(CO)N1CCS(=O)C1.
What is the InChIKey of 2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is KTZTYQFJMVVILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3S/c7-3-5(8)6-1-2-10(9)4-6/h7H,1-4H2.
What are the key properties of 2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone?
2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 163.20 g/mol, XLogP of -1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 163723948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).