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

C6H11NO2S — CID 84764415

IUPAC3-ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one
SMILESCCN1CC(CO)SC1=O
InChIInChI=1S/C6H11NO2S/c1-2-7-3-5(4-8)10-6(7)9/h5,8H,2-4H2,1H3
InChIKeyKHSVKTYFWGDXIU-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.54
Rot. Bonds2

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

3-ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one (PubChem CID 84764415) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 3-ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one
PubChem CID84764415
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name3-ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one
SMILESCCN1CC(CO)SC1=O
InChIInChI=1S/C6H11NO2S/c1-2-7-3-5(4-8)10-6(7)9/h5,8H,2-4H2,1H3
InChIKeyKHSVKTYFWGDXIU-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
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
S-(2-Hydroxyethyl) dipropylcarbamothioate
CID 85923803
2-Thiazolidinone, 4-hydroxy-3-methyl-
CID 12743040
3-(3-Hydroxypropyl)-1,3-thiazolidine-2,4-dione
CID 43509836
3-(1,3-Thiazolidin-3-yl)propan-1-ol
CID 45088138
1-(1,3-Thiazolidin-3-yl)propan-1-ol
CID 123722634
4-Hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one
CID 123861444
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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one?
The IUPAC name of 3-ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one (CID 84764415) is 3-ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 3-ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one is CCN1CC(CO)SC1=O.
What is the InChIKey of 3-ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one?
The InChIKey is KHSVKTYFWGDXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-2-7-3-5(4-8)10-6(7)9/h5,8H,2-4H2,1H3.
What are the key properties of 3-ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one?
3-ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one has a molecular weight of 161.23 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 84764415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).