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

C5H9NO2S — CID 84763029

IUPAC4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one
SMILESCN1C(=O)SCC1CO
InChIInChI=1S/C5H9NO2S/c1-6-4(2-7)3-9-5(6)8/h4,7H,2-3H2,1H3
InChIKeyPNHLSLJFEGRZDT-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.15
Rot. Bonds1

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

4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one (PubChem CID 84763029) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one
PubChem CID84763029
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one
SMILESCN1C(=O)SCC1CO
InChIInChI=1S/C5H9NO2S/c1-6-4(2-7)3-9-5(6)8/h4,7H,2-3H2,1H3
InChIKeyPNHLSLJFEGRZDT-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-Methyl-1,3-thiazolidin-4-yl)methanol
CID 13419603
4(R)-hydroxymethyl-3-methyl-1,3-thiazolidine
CID 13419604
[(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol
CID 15052250
(3,3-Dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol
CID 19799085
1-[4-(Hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one
CID 20648621
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648622
(2,2,3-Trimethyl-1,3-thiazolidin-4-yl)methanol
CID 20699078
Carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium
CID 59870089
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-(2-Hydroxyethyl)-1,3-thiazolidin-2-one
CID 141188625
3-(Hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one
CID 141190228

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one (CID 84763029) is 4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one is CN1C(=O)SCC1CO.
What is the InChIKey of 4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one?
The InChIKey is PNHLSLJFEGRZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-6-4(2-7)3-9-5(6)8/h4,7H,2-3H2,1H3.
What are the key properties of 4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one?
4-(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 4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 84763029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).