2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one

C11H21NO2S2 — CID 74228514

IUPAC2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
SMILESCCC(C)C1SCC(=O)N1CCSCCO
InChIInChI=1S/C11H21NO2S2/c1-3-9(2)11-12(10(14)8-16-11)4-6-15-7-5-13/h9,11,13H,3-8H2,1-2H3
InChIKeyGJBFEPPVHZVZBK-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.66
Rot. Bonds7

About 2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one

2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 74228514) has the molecular formula C11H21NO2S2 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
PubChem CID74228514
Molecular FormulaC11H21NO2S2
Molecular Weight263.43 g/mol
Exact Mass263.10
IUPAC Name2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
SMILESCCC(C)C1SCC(=O)N1CCSCCO
InChIInChI=1S/C11H21NO2S2/c1-3-9(2)11-12(10(14)8-16-11)4-6-15-7-5-13/h9,11,13H,3-8H2,1-2H3
InChIKeyGJBFEPPVHZVZBK-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one (CID 74228514) is 2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one is CCC(C)C1SCC(=O)N1CCSCCO.
What is the InChIKey of 2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is GJBFEPPVHZVZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S2/c1-3-9(2)11-12(10(14)8-16-11)4-6-15-7-5-13/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 263.43 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 74228514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).