3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one

C7H13NO2S — CID 23238001

IUPAC3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one
SMILESCC(O)CN1C(=O)CSC1C
InChIInChI=1S/C7H13NO2S/c1-5(9)3-8-6(2)11-4-7(8)10/h5-6,9H,3-4H2,1-2H3
InChIKeyWPXOOXWSEWIWCU-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.29
Rot. Bonds2

About 3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one

3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one (PubChem CID 23238001) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one
PubChem CID23238001
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one
SMILESCC(O)CN1C(=O)CSC1C
InChIInChI=1S/C7H13NO2S/c1-5(9)3-8-6(2)11-4-7(8)10/h5-6,9H,3-4H2,1-2H3
InChIKeyWPXOOXWSEWIWCU-UHFFFAOYSA-N
XLogP0.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Thiazolidinone, 3-(2-hydroxyethyl)-
CID 3685883
N-(2-hydroxypropyl)-thiazolidine-2,4-dione
CID 60879512
3-(2-Hydroxy-3-r-propyl)-thiazolidine-2,4-dione
CID 129789684
1-[2-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648598
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648622
4-(2-Hydroxypropyl)thiomorpholin-3-one
CID 71319106
2-Hydroxy-3-methylsulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 123395766
2-Hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one
CID 131154012
2-Hydroxy-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 140079285
5-Hydroxy-2,3-dimethyl-1,3-thiazolidin-4-one
CID 143892384
3-(1-Hydroxybutan-2-yl)-1,3-thiazolidin-4-one
CID 10997560
3-(2-Hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one
CID 11041011

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one (CID 23238001) is 3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one is CC(O)CN1C(=O)CSC1C.
What is the InChIKey of 3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one?
The InChIKey is WPXOOXWSEWIWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-5(9)3-8-6(2)11-4-7(8)10/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one?
3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one has a molecular weight of 175.25 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 23238001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).