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

C14H21N3O2S — CID 83258294

IUPAC5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CC2CN(C)CCO2)C1=O
InChIInChI=1S/C14H21N3O2S/c1-10-14(18)17(8-12-7-16(2)4-5-19-12)13(15-10)11-3-6-20-9-11/h3,6,9-10,12-13,15H,4-5,7-8H2,1-2H3
InChIKeyBLTQCGNCYOSRSQ-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.90
Rot. Bonds3

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

5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83258294) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83258294
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CC2CN(C)CCO2)C1=O
InChIInChI=1S/C14H21N3O2S/c1-10-14(18)17(8-12-7-16(2)4-5-19-12)13(15-10)11-3-6-20-9-11/h3,6,9-10,12-13,15H,4-5,7-8H2,1-2H3
InChIKeyBLTQCGNCYOSRSQ-UHFFFAOYSA-N
XLogP0.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 106000166
5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83251904
5-methyl-3-(2-piperidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83245085
5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83259028
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-3-(1-methylpiperidin-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83255677
3-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 114506900
5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83243425
3-(2-cyclohexyloxyethyl)-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83262920
3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83256047
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078126

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one (CID 83258294) is 5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one is CC1NC(c2ccsc2)N(CC2CN(C)CCO2)C1=O.
What is the InChIKey of 5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is BLTQCGNCYOSRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10-14(18)17(8-12-7-16(2)4-5-19-12)13(15-10)11-3-6-20-9-11/h3,6,9-10,12-13,15H,4-5,7-8H2,1-2H3.
What are the key properties of 5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 295.41 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83258294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).