4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one

C8H15NO2S — CID 123861444

IUPAC4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one
SMILESCC(C)CCN1C(=O)SCC1O
InChIInChI=1S/C8H15NO2S/c1-6(2)3-4-9-7(10)5-12-8(9)11/h6-7,10H,3-5H2,1-2H3
InChIKeyHFLOQKICNBUNKN-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.52
Rot. Bonds3

About 4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one

4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one (PubChem CID 123861444) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one
PubChem CID123861444
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one
SMILESCC(C)CCN1C(=O)SCC1O
InChIInChI=1S/C8H15NO2S/c1-6(2)3-4-9-7(10)5-12-8(9)11/h6-7,10H,3-5H2,1-2H3
InChIKeyHFLOQKICNBUNKN-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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

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
3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol
CID 143204673
3-Ethyl-4-hydroxy-1,3-thiazolidin-2-one
CID 153222709
4-Hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one
CID 12743043
1-[3-(Hydroxymethyl)pyrrolidin-1-yl]-2-methylsulfanylethanone
CID 62349450
2-(3-Hydroxy-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 65822538
2-Butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 74228514
3-Ethyl-5-(hydroxymethyl)-1,3-thiazolidin-2-one
CID 84764415
3-(2-Hydroxy-3-methylbutyl)-1,3-thiazolidine-2,4-dione
CID 130495419

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one?
The IUPAC name of 4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one (CID 123861444) is 4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one is CC(C)CCN1C(=O)SCC1O.
What is the InChIKey of 4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one?
The InChIKey is HFLOQKICNBUNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-6(2)3-4-9-7(10)5-12-8(9)11/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one?
4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one has a molecular weight of 189.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 123861444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).