5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one

C15H22N2O2S — CID 83263059

IUPAC5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2ccsc2)N(C2CCCOC2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-3-15(2)14(18)17(12-5-4-7-19-9-12)13(16-15)11-6-8-20-10-11/h6,8,10,12-13,16H,3-5,7,9H2,1-2H3
InChIKeyLGRWLXOHZPOLBU-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.53
Rot. Bonds3

About 5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one

5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83263059) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83263059
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2ccsc2)N(C2CCCOC2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-3-15(2)14(18)17(12-5-4-7-19-9-12)13(16-15)11-6-8-20-10-11/h6,8,10,12-13,16H,3-5,7,9H2,1-2H3
InChIKeyLGRWLXOHZPOLBU-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one (CID 83263059) is 5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one is CCC1(C)NC(c2ccsc2)N(C2CCCOC2)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is LGRWLXOHZPOLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-15(2)14(18)17(12-5-4-7-19-9-12)13(16-15)11-6-8-20-10-11/h6,8,10,12-13,16H,3-5,7,9H2,1-2H3.
What are the key properties of 5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one?
5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 294.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83263059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).