3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione

C7H11NO3S — CID 43509837

IUPAC3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCCCO
InChIInChI=1S/C7H11NO3S/c9-4-2-1-3-8-6(10)5-12-7(8)11/h9H,1-5H2
InChIKeyWYAXFFNNECRKAT-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.45
Rot. Bonds4

About 3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione

3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione (PubChem CID 43509837) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione
PubChem CID43509837
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCCCO
InChIInChI=1S/C7H11NO3S/c9-4-2-1-3-8-6(10)5-12-7(8)11/h9H,1-5H2
InChIKeyWYAXFFNNECRKAT-UHFFFAOYSA-N
XLogP0.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-4-thiazolidinone
CID 11955010
3-(3-Hydroxypropyl)-1,3-thiazolidine-2,4-dione
CID 43509836
5-Hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one
CID 90951216
5-Hydroxy-1,1-dimethyl-3-methylsulfanylpyrrolidin-1-ium-2-one
CID 123795324
5-Hydroxy-1-methyl-4-methylsulfanylpyrrolidin-2-one
CID 126719174
(5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one
CID 155417963
1-Ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one
CID 163443600
5-Hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one
CID 163922637
3-(4-Hydroxybutyl)-1,3-thiazolidin-2-one
CID 174299794
3-(1-Hydroxybutan-2-yl)-1,3-thiazolidin-4-one
CID 10997560
3-(3-Hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one
CID 15272957
2-(2-Hydroxyethylsulfanyl)-1-pyrrolidin-1-ylethanone
CID 43392405

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione (CID 43509837) is 3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1CCCCO.
What is the InChIKey of 3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is WYAXFFNNECRKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c9-4-2-1-3-8-6(10)5-12-7(8)11/h9H,1-5H2.
What are the key properties of 3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione?
3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 189.24 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 43509837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).