2-hydroxy-5-methyl-1,3-thiazolidin-4-one

C4H7NO2S — CID 89297359

IUPAC2-hydroxy-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(O)NC1=O
InChIInChI=1S/C4H7NO2S/c1-2-3(6)5-4(7)8-2/h2,4,7H,1H3,(H,5,6)
InChIKeyNTRYZOQNEAGHPV-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.49
Rot. Bonds

About 2-hydroxy-5-methyl-1,3-thiazolidin-4-one

2-hydroxy-5-methyl-1,3-thiazolidin-4-one (PubChem CID 89297359) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-hydroxy-5-methyl-1,3-thiazolidin-4-one
PubChem CID89297359
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name2-hydroxy-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(O)NC1=O
InChIInChI=1S/C4H7NO2S/c1-2-3(6)5-4(7)8-2/h2,4,7H,1H3,(H,5,6)
InChIKeyNTRYZOQNEAGHPV-UHFFFAOYSA-N
XLogP-0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6R)-6-methyl-5-oxothiomorpholine-3-carboxylic acid
CID 99645794
(3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one
CID 11194347
(2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 723855
(3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione
CID 126575623
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
5-hydroxy-4-methyl-1,3-oxazolidin-2-one
CID 89199038
(3S,6S)-3-hydroxy-6-methylpiperidin-2-one
CID 55287608
3-amino-4-methylazetidin-2-one
CID 13155286
5-methyl-3-(3-methylbut-2-enyl)-2-sulfanylideneimidazolidin-4-one
CID 130727468
(5S,6S)-5-hydroxy-6-methylpiperidin-2-one
CID 86335302
[(3S,4S,5S)-4,5-dimethyl-2-oxopyrrolidin-3-yl]carbamic acid
CID 166728578
(3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one
CID 102000694

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-hydroxy-5-methyl-1,3-thiazolidin-4-one (CID 89297359) is 2-hydroxy-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-hydroxy-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-hydroxy-5-methyl-1,3-thiazolidin-4-one is CC1SC(O)NC1=O.
What is the InChIKey of 2-hydroxy-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is NTRYZOQNEAGHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c1-2-3(6)5-4(7)8-2/h2,4,7H,1H3,(H,5,6).
What are the key properties of 2-hydroxy-5-methyl-1,3-thiazolidin-4-one?
2-hydroxy-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 133.17 g/mol, XLogP of -0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 89297359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).