2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one

C11H18N2O2S — CID 135989330

IUPAC2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\CC2CCCO2)NC1=O
InChIInChI=1S/C11H18N2O2S/c1-7(2)9-10(14)13-11(16-9)12-6-8-4-3-5-15-8/h7-9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyXNQGHWBWTZPWIS-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.41
Rot. Bonds3

About 2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one

2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135989330) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135989330
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\CC2CCCO2)NC1=O
InChIInChI=1S/C11H18N2O2S/c1-7(2)9-10(14)13-11(16-9)12-6-8-4-3-5-15-8/h7-9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyXNQGHWBWTZPWIS-UHFFFAOYSA-N
XLogP1.41
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.41
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-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135989330) is 2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1S/C(=N\CC2CCCO2)NC1=O.
What is the InChIKey of 2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is XNQGHWBWTZPWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(2)9-10(14)13-11(16-9)12-6-8-4-3-5-15-8/h7-9H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 242.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).