3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione

C7H11NO3S — CID 115870965

IUPAC3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione
SMILESCC(CO)CN1C(=O)CSC1=O
InChIInChI=1S/C7H11NO3S/c1-5(3-9)2-8-6(10)4-12-7(8)11/h5,9H,2-4H2,1H3
InChIKeyOESJSGQSNYYIJS-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.31
Rot. Bonds3

About 3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione

3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione (PubChem CID 115870965) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione
PubChem CID115870965
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione
SMILESCC(CO)CN1C(=O)CSC1=O
InChIInChI=1S/C7H11NO3S/c1-5(3-9)2-8-6(10)4-12-7(8)11/h5,9H,2-4H2,1H3
InChIKeyOESJSGQSNYYIJS-UHFFFAOYSA-N
XLogP0.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
3-(2-Methylpropyl)-2,4-thiazolidinedione
CID 20110321
N-(2-hydroxypropyl)-thiazolidine-2,4-dione
CID 60879512
3-(2-Hydroxy-3-r-propyl)-thiazolidine-2,4-dione
CID 129789684
3-(3-Hydroxypropyl)-1,3-thiazolidine-2,4-dione
CID 43509836
3-(3-Methoxy-n-propyl)-2,4-thiazolidinedione
CID 86183559
2-Hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one
CID 137452100
3-(3-Hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one
CID 141264152
4-Hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one
CID 12743043
3-(3-Hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one
CID 15272957
3-(4-Hydroxybutyl)-1,3-thiazolidine-2,4-dione
CID 43509837

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione (CID 115870965) is 3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione is CC(CO)CN1C(=O)CSC1=O.
What is the InChIKey of 3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is OESJSGQSNYYIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-5(3-9)2-8-6(10)4-12-7(8)11/h5,9H,2-4H2,1H3.
What are the key properties of 3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione?
3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 189.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 115870965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).