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

C15H22N2O2S — CID 106000166

IUPAC5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CCC2CCCCO2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-11-15(18)17(7-5-13-4-2-3-8-19-13)14(16-11)12-6-9-20-10-12/h6,9-11,13-14,16H,2-5,7-8H2,1H3
InChIKeySXYRZFTZOJIVQM-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.53
Rot. Bonds4

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

5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 106000166) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID106000166
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CCC2CCCCO2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-11-15(18)17(7-5-13-4-2-3-8-19-13)14(16-11)12-6-9-20-10-12/h6,9-11,13-14,16H,2-5,7-8H2,1H3
InChIKeySXYRZFTZOJIVQM-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83258294
5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
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3-(2-cyclohexyloxyethyl)-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83262920
5-methyl-3-(2-piperidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83245085
5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
CID 83259776
5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 113225393
3,5-dimethyl-2-thiophen-3-ylimidazolidin-4-one
CID 83260781
5-methyl-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83249314
3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64967006
5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83243425
2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255693
2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one
CID 83245722

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one (CID 106000166) is 5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one is CC1NC(c2ccsc2)N(CCC2CCCCO2)C1=O.
What is the InChIKey of 5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is SXYRZFTZOJIVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-15(18)17(7-5-13-4-2-3-8-19-13)14(16-11)12-6-9-20-10-12/h6,9-11,13-14,16H,2-5,7-8H2,1H3.
What are the key properties of 5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 294.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 106000166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).