2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one

C10H16N2O2S — CID 141136196

IUPAC2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\CCC2CCOCC2)N1
InChIInChI=1S/C10H16N2O2S/c13-9-7-15-10(12-9)11-4-1-8-2-5-14-6-3-8/h8H,1-7H2,(H,11,12,13)
InChIKeyAOWNNXAKCGGKOO-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.02
Rot. Bonds3

About 2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one

2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one (PubChem CID 141136196) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one
PubChem CID141136196
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\CCC2CCOCC2)N1
InChIInChI=1S/C10H16N2O2S/c13-9-7-15-10(12-9)11-4-1-8-2-5-14-6-3-8/h8H,1-7H2,(H,11,12,13)
InChIKeyAOWNNXAKCGGKOO-UHFFFAOYSA-N
XLogP1.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one (CID 141136196) is 2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one is O=C1CS/C(=N\CCC2CCOCC2)N1.
What is the InChIKey of 2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one?
The InChIKey is AOWNNXAKCGGKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c13-9-7-15-10(12-9)11-4-1-8-2-5-14-6-3-8/h8H,1-7H2,(H,11,12,13).
What are the key properties of 2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one?
2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one has a molecular weight of 228.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 141136196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).