5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one

C5H9NO2S — CID 84763030

IUPAC5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one
SMILESCN1CC(CO)SC1=O
InChIInChI=1S/C5H9NO2S/c1-6-2-4(3-7)9-5(6)8/h4,7H,2-3H2,1H3
InChIKeyUDBPNSZOVLSPGO-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.15
Rot. Bonds1

About 5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one

5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one (PubChem CID 84763030) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one
PubChem CID84763030
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one
SMILESCN1CC(CO)SC1=O
InChIInChI=1S/C5H9NO2S/c1-6-2-4(3-7)9-5(6)8/h4,7H,2-3H2,1H3
InChIKeyUDBPNSZOVLSPGO-UHFFFAOYSA-N
XLogP0.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-(3-Hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122707196
N-(3-hydroxypropyl)-4-thiazolidinone
CID 11955010
S-Ethyl (3-hydroxypropyl)propylthiocarbamate
CID 85923799
2-Thiazolidinone, 4-hydroxy-3-methyl-
CID 12743040
3-(3-Hydroxypropyl)-1,3-thiazolidine-2,4-dione
CID 43509836
3-[(2S)-1-hydroxypropan-2-yl]-1,3-thiazolidin-2-one
CID 140984584
3-(1-Hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one
CID 141150519
3-(3-Hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one
CID 141264152
3-Ethyl-4-hydroxy-1,3-thiazolidin-2-one
CID 153222709
3-(4-Hydroxybutyl)-1,3-thiazolidin-2-one
CID 174299794
4-Hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one
CID 12743043
3-(3-Hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one
CID 15272957

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one (CID 84763030) is 5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one is CN1CC(CO)SC1=O.
What is the InChIKey of 5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one?
The InChIKey is UDBPNSZOVLSPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-6-2-4(3-7)9-5(6)8/h4,7H,2-3H2,1H3.
What are the key properties of 5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one?
5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one has a molecular weight of 147.20 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 84763030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).