3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one

C7H13NO2S — CID 141150519

IUPAC3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one
SMILESCC1SC(=O)N(C(C)O)C1C
InChIInChI=1S/C7H13NO2S/c1-4-5(2)11-7(10)8(4)6(3)9/h4-6,9H,1-3H3
InChIKeyNUUWHBMJPBLYLW-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.27
Rot. Bonds1

About 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one

3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one (PubChem CID 141150519) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one
PubChem CID141150519
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one
SMILESCC1SC(=O)N(C(C)O)C1C
InChIInChI=1S/C7H13NO2S/c1-4-5(2)11-7(10)8(4)6(3)9/h4-6,9H,1-3H3
InChIKeyNUUWHBMJPBLYLW-UHFFFAOYSA-N
XLogP1.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.27
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

1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648622
3-[(2S)-1-hydroxypropan-2-yl]-1,3-thiazolidin-2-one
CID 140984584
3-(Hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one
CID 141190228
3-Ethyl-4-hydroxy-1,3-thiazolidin-2-one
CID 153222709
3-Ethyl-4-hydroxy-4-methyl-1,3-thiazolidin-2-one
CID 163756222
3-(2-Hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one
CID 174527594
3-(2-Hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one
CID 174540981
3-(1-Hydroxybutan-2-yl)-1,3-thiazolidin-4-one
CID 10997560
4-Hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one
CID 12743043
4-(Hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one
CID 84763029
5-(Hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one
CID 84763030
3-Ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one
CID 84764415

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one?
The IUPAC name of 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one (CID 141150519) is 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one?
The canonical SMILES for 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one is CC1SC(=O)N(C(C)O)C1C.
What is the InChIKey of 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one?
The InChIKey is NUUWHBMJPBLYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-4-5(2)11-7(10)8(4)6(3)9/h4-6,9H,1-3H3.
What are the key properties of 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one?
3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one has a molecular weight of 175.25 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 141150519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).