3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one

C8H15NO2S — CID 141264152

IUPAC3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one
SMILESCC(C)(CO)CN1CCSC1=O
InChIInChI=1S/C8H15NO2S/c1-8(2,6-10)5-9-3-4-12-7(9)11/h10H,3-6H2,1-2H3
InChIKeyPANZZSVZJLZPNE-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.17
Rot. Bonds3

About 3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one

3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one (PubChem CID 141264152) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one
PubChem CID141264152
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one
SMILESCC(C)(CO)CN1CCSC1=O
InChIInChI=1S/C8H15NO2S/c1-8(2,6-10)5-9-3-4-12-7(9)11/h10H,3-6H2,1-2H3
InChIKeyPANZZSVZJLZPNE-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.17
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

N-(3-hydroxypropyl)-4-thiazolidinone
CID 11955010
S-Ethyl (3-hydroxypropyl)propylthiocarbamate
CID 85923799
3-(3-Hydroxypropyl)-1,3-thiazolidine-2,4-dione
CID 43509836
4-Hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one
CID 123861444
3-Ethyl-4-hydroxy-1,3-thiazolidin-2-one
CID 153222709
2-Butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one
CID 5008066
4-Hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one
CID 12743043
3-(3-Hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one
CID 15272957
5-(Hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one
CID 84763030
3-Ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one
CID 84764415
5-(Hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one
CID 84767000
3-(3-Hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione
CID 115870965

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one?
The IUPAC name of 3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one (CID 141264152) is 3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one is CC(C)(CO)CN1CCSC1=O.
What is the InChIKey of 3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one?
The InChIKey is PANZZSVZJLZPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-8(2,6-10)5-9-3-4-12-7(9)11/h10H,3-6H2,1-2H3.
What are the key properties of 3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one?
3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one has a molecular weight of 189.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 141264152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).