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

C8H15NO2S — CID 137452100

IUPAC2-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one
SMILESCC(C)CCN1C(=O)CSC1O
InChIInChI=1S/C8H15NO2S/c1-6(2)3-4-9-7(10)5-12-8(9)11/h6,8,11H,3-5H2,1-2H3
InChIKeyVANPFKZGLGFILA-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.88
Rot. Bonds3

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

2-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one (PubChem CID 137452100) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one
PubChem CID137452100
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one
SMILESCC(C)CCN1C(=O)CSC1O
InChIInChI=1S/C8H15NO2S/c1-6(2)3-4-9-7(10)5-12-8(9)11/h6,8,11H,3-5H2,1-2H3
InChIKeyVANPFKZGLGFILA-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one (CID 137452100) is 2-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one is CC(C)CCN1C(=O)CSC1O.
What is the InChIKey of 2-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one?
The InChIKey is VANPFKZGLGFILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-6(2)3-4-9-7(10)5-12-8(9)11/h6,8,11H,3-5H2,1-2H3.
What are the key properties of 2-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one?
2-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one has a molecular weight of 189.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3-methylbutyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 137452100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).