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

C5H9NO2S — CID 19813452

IUPAC2-(1-hydroxyethyl)-1,3-thiazolidin-4-one
SMILESCC(O)C1NC(=O)CS1
InChIInChI=1S/C5H9NO2S/c1-3(7)5-6-4(8)2-9-5/h3,5,7H,2H2,1H3,(H,6,8)
InChIKeyYYZSEVDVHWOGEJ-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.44
Rot. Bonds1

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

2-(1-hydroxyethyl)-1,3-thiazolidin-4-one (PubChem CID 19813452) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-1,3-thiazolidin-4-one
PubChem CID19813452
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name2-(1-hydroxyethyl)-1,3-thiazolidin-4-one
SMILESCC(O)C1NC(=O)CS1
InChIInChI=1S/C5H9NO2S/c1-3(7)5-6-4(8)2-9-5/h3,5,7H,2H2,1H3,(H,6,8)
InChIKeyYYZSEVDVHWOGEJ-UHFFFAOYSA-N
XLogP-0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Acetamido-2-hydroxytetrahydrothiophene
CID 194471
N-[(3S,4R)-4-hydroxythiolan-3-yl]acetamide
CID 12201416
N-[3-(2-hydroxyethylsulfanyl)propyl]acetamide
CID 15123541
1-(1,3-Thiazolidin-2-yl)ethanol
CID 20223223
N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 43388912
2-(2-Hydroxyethyl)-1,3-thiazolidin-4-one
CID 105429078
3-ethylsulfanyl-N-(2-hydroxyethyl)propanamide
CID 117126620
N-ethyl-2-hydroxy-3-methylsulfanylpropanamide
CID 123242188
2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 123696026
S-[3-(2-hydroxyethylamino)-3-oxopropyl] ethanethioate
CID 126500472
(1R)-1-(1,3-thiazolidin-2-yl)ethanol
CID 138485377
N-(2,2,4-trihydroxythiolan-3-yl)acetamide
CID 173116756

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-hydroxyethyl)-1,3-thiazolidin-4-one (CID 19813452) is 2-(1-hydroxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-hydroxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-hydroxyethyl)-1,3-thiazolidin-4-one is CC(O)C1NC(=O)CS1.
What is the InChIKey of 2-(1-hydroxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is YYZSEVDVHWOGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-3(7)5-6-4(8)2-9-5/h3,5,7H,2H2,1H3,(H,6,8).
What are the key properties of 2-(1-hydroxyethyl)-1,3-thiazolidin-4-one?
2-(1-hydroxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 147.20 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 19813452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).