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

C8H13NO3S — CID 130495419

IUPAC3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione
SMILESCC(C)C(O)CN1C(=O)CSC1=O
InChIInChI=1S/C8H13NO3S/c1-5(2)6(10)3-9-7(11)4-13-8(9)12/h5-6,10H,3-4H2,1-2H3
InChIKeyWJSXGVYWFDQTQB-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.70
Rot. Bonds3

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

3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione (PubChem CID 130495419) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione
PubChem CID130495419
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione
SMILESCC(C)C(O)CN1C(=O)CSC1=O
InChIInChI=1S/C8H13NO3S/c1-5(2)6(10)3-9-7(11)4-13-8(9)12/h5-6,10H,3-4H2,1-2H3
InChIKeyWJSXGVYWFDQTQB-UHFFFAOYSA-N
XLogP0.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxypropyl)-thiazolidine-2,4-dione
CID 60879512
3-(2-Hydroxy-3-r-propyl)-thiazolidine-2,4-dione
CID 129789684
(3S,4R)-3-(acetylsulfanylmethyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 90036241
4-Hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one
CID 123861444
3-Hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one
CID 123921706
2-Hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one
CID 131154012
2-Hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one
CID 137452100
1-[(4R)-4-hydroxy-2-methylsulfanylpyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 154672934
3-(2,3-Dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one
CID 3802817
3-(2-Hydroxypropyl)-1,3-thiazolidin-4-one
CID 15327109
3-(2-Hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one
CID 23238001
3-[(2S)-2,3-dihydroxypropyl]-2-pentan-3-yl-1,3-thiazolidin-4-one
CID 23797754

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione (CID 130495419) is 3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione is CC(C)C(O)CN1C(=O)CSC1=O.
What is the InChIKey of 3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is WJSXGVYWFDQTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-5(2)6(10)3-9-7(11)4-13-8(9)12/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione?
3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 203.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 130495419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).