2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one

C12H23NO2S — CID 5008066

IUPAC2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one
SMILESCCCCC1SCC(=O)N1CC(C)(C)CO
InChIInChI=1S/C12H23NO2S/c1-4-5-6-11-13(10(15)7-16-11)8-12(2,3)9-14/h11,14H,4-9H2,1-3H3
InChIKeyVOLYQLZTUKTXOC-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.10
Rot. Bonds6

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

2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one (PubChem CID 5008066) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one
PubChem CID5008066
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one
SMILESCCCCC1SCC(=O)N1CC(C)(C)CO
InChIInChI=1S/C12H23NO2S/c1-4-5-6-11-13(10(15)7-16-11)8-12(2,3)9-14/h11,14H,4-9H2,1-3H3
InChIKeyVOLYQLZTUKTXOC-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one (CID 5008066) is 2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one is CCCCC1SCC(=O)N1CC(C)(C)CO.
What is the InChIKey of 2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is VOLYQLZTUKTXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-4-5-6-11-13(10(15)7-16-11)8-12(2,3)9-14/h11,14H,4-9H2,1-3H3.
What are the key properties of 2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one?
2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 245.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5008066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).