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

C7H13NO2S — CID 174540981

IUPAC3-(2-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one
SMILESCC1SC(=O)N(CCO)C1C
InChIInChI=1S/C7H13NO2S/c1-5-6(2)11-7(10)8(5)3-4-9/h5-6,9H,3-4H2,1-2H3
InChIKeyGJDNUMDJNYXJMJ-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.92
Rot. Bonds2

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

3-(2-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one (PubChem CID 174540981) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one
PubChem CID174540981
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name3-(2-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one
SMILESCC1SC(=O)N(CCO)C1C
InChIInChI=1S/C7H13NO2S/c1-5-6(2)11-7(10)8(5)3-4-9/h5-6,9H,3-4H2,1-2H3
InChIKeyGJDNUMDJNYXJMJ-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one (CID 174540981) is 3-(2-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one is CC1SC(=O)N(CCO)C1C.
What is the InChIKey of 3-(2-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one?
The InChIKey is GJDNUMDJNYXJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-5-6(2)11-7(10)8(5)3-4-9/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one?
3-(2-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one has a molecular weight of 175.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 174540981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).