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

C6H11NO2S — CID 15327109

IUPAC3-(2-hydroxypropyl)-1,3-thiazolidin-4-one
SMILESCC(O)CN1CSCC1=O
InChIInChI=1S/C6H11NO2S/c1-5(8)2-7-4-10-3-6(7)9/h5,8H,2-4H2,1H3
InChIKeyJRQAMRNOFBCUNV-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.10
Rot. Bonds2

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

3-(2-hydroxypropyl)-1,3-thiazolidin-4-one (PubChem CID 15327109) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-1,3-thiazolidin-4-one
PubChem CID15327109
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name3-(2-hydroxypropyl)-1,3-thiazolidin-4-one
SMILESCC(O)CN1CSCC1=O
InChIInChI=1S/C6H11NO2S/c1-5(8)2-7-4-10-3-6(7)9/h5,8H,2-4H2,1H3
InChIKeyJRQAMRNOFBCUNV-UHFFFAOYSA-N
XLogP-0.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S-Ethyl (2-hydroxypropyl)propylthiocarbamate
CID 71370940
N-(3-hydroxypropyl)-4-thiazolidinone
CID 11955010
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
3-(2-Hydroxyethyl)thiazolidine-2,4-dione
CID 12231218
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
2-Hydroxy-3-methylsulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 123395766
1-(1,3-Thiazolidin-3-yl)propan-2-ol
CID 129215935
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-hydroxypropyl)-1,3-thiazolidin-4-one (CID 15327109) is 3-(2-hydroxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-hydroxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-hydroxypropyl)-1,3-thiazolidin-4-one is CC(O)CN1CSCC1=O.
What is the InChIKey of 3-(2-hydroxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is JRQAMRNOFBCUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-5(8)2-7-4-10-3-6(7)9/h5,8H,2-4H2,1H3.
What are the key properties of 3-(2-hydroxypropyl)-1,3-thiazolidin-4-one?
3-(2-hydroxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 161.23 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 15327109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).