5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one

C14H18N2O2S — CID 83270697

IUPAC5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCC1NC(c2cccs2)N(C2CC3CCC2O3)C1=O
InChIInChI=1S/C14H18N2O2S/c1-8-14(17)16(10-7-9-4-5-11(10)18-9)13(15-8)12-3-2-6-19-12/h2-3,6,8-11,13,15H,4-5,7H2,1H3
InChIKeyCSWKRESDWXXDJH-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.89
Rot. Bonds2

About 5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one

5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83270697) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83270697
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCC1NC(c2cccs2)N(C2CC3CCC2O3)C1=O
InChIInChI=1S/C14H18N2O2S/c1-8-14(17)16(10-7-9-4-5-11(10)18-9)13(15-8)12-3-2-6-19-12/h2-3,6,8-11,13,15H,4-5,7H2,1H3
InChIKeyCSWKRESDWXXDJH-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one with MolForge

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 45832026
[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 8926204
2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide
CID 8926205
[2-(butylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 8926256
N-(butylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 8926257
[2-(butylcarbamoylamino)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 8926261
N-(butylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 8926262
[2-(cyclohexylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055236
N-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055237
[2-(cyclohexylamino)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055238
N-cyclohexyl-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055239
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055372

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one (CID 83270697) is 5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one is CC1NC(c2cccs2)N(C2CC3CCC2O3)C1=O.
What is the InChIKey of 5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is CSWKRESDWXXDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8-14(17)16(10-7-9-4-5-11(10)18-9)13(15-8)12-3-2-6-19-12/h2-3,6,8-11,13,15H,4-5,7H2,1H3.
What are the key properties of 5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one?
5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 278.38 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83270697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).