3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one

C15H29NO2S — CID 3832794

IUPAC3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one
SMILESCCC(CC)C1SCC(=O)N1CCCC(C)(C)CO
InChIInChI=1S/C15H29NO2S/c1-5-12(6-2)14-16(13(18)10-19-14)9-7-8-15(3,4)11-17/h12,14,17H,5-11H2,1-4H3
InChIKeyJEEKVFXYFPYQDH-UHFFFAOYSA-N
MW287.47 g/mol
LogP3.12
Rot. Bonds8

About 3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one

3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one (PubChem CID 3832794) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one
PubChem CID3832794
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one
SMILESCCC(CC)C1SCC(=O)N1CCCC(C)(C)CO
InChIInChI=1S/C15H29NO2S/c1-5-12(6-2)14-16(13(18)10-19-14)9-7-8-15(3,4)11-17/h12,14,17H,5-11H2,1-4H3
InChIKeyJEEKVFXYFPYQDH-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one (CID 3832794) is 3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one is CCC(CC)C1SCC(=O)N1CCCC(C)(C)CO.
What is the InChIKey of 3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one?
The InChIKey is JEEKVFXYFPYQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-5-12(6-2)14-16(13(18)10-19-14)9-7-8-15(3,4)11-17/h12,14,17H,5-11H2,1-4H3.
What are the key properties of 3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one?
3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one has a molecular weight of 287.47 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3832794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).