5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one

C13H17F3N2OS2 — CID 106433236

IUPAC5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
SMILESCCC1NC(c2ccc(C)s2)N(CCSC(F)(F)F)C1=O
InChIInChI=1S/C13H17F3N2OS2/c1-3-9-12(19)18(6-7-20-13(14,15)16)11(17-9)10-5-4-8(2)21-10/h4-5,9,11,17H,3,6-7H2,1-2H3
InChIKeyRELPNEKSVPRMST-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.52
Rot. Bonds5

About 5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one

5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one (PubChem CID 106433236) has the molecular formula C13H17F3N2OS2 and a molecular weight of 338.42 g/mol. Its IUPAC name is 5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
PubChem CID106433236
Molecular FormulaC13H17F3N2OS2
Molecular Weight338.42 g/mol
Exact Mass338.07
IUPAC Name5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
SMILESCCC1NC(c2ccc(C)s2)N(CCSC(F)(F)F)C1=O
InChIInChI=1S/C13H17F3N2OS2/c1-3-9-12(19)18(6-7-20-13(14,15)16)11(17-9)10-5-4-8(2)21-10/h4-5,9,11,17H,3,6-7H2,1-2H3
InChIKeyRELPNEKSVPRMST-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83251342
5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257006
3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83253376
3-(cyclopentylmethyl)-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244248
5-ethyl-2-(5-methylthiophen-2-yl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one
CID 83267701
5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244694
5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255175
5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83246232
5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264275
2-(2,5-dimethylphenyl)-5-ethyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257120
5-ethyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83256953
5-ethyl-2-(5-methylthiophen-2-yl)-3-(thiolan-3-yl)imidazolidin-4-one
CID 103065521

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one?
The IUPAC name of 5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one (CID 106433236) is 5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one is CCC1NC(c2ccc(C)s2)N(CCSC(F)(F)F)C1=O.
What is the InChIKey of 5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one?
The InChIKey is RELPNEKSVPRMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS2/c1-3-9-12(19)18(6-7-20-13(14,15)16)11(17-9)10-5-4-8(2)21-10/h4-5,9,11,17H,3,6-7H2,1-2H3.
What are the key properties of 5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one?
5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one has a molecular weight of 338.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one is sourced from PubChem (CID 106433236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).