5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one

C12H15F3N2O2S — CID 83263550

IUPAC5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C12H15F3N2O2S/c1-8-11(18)17(3-4-19-7-12(13,14)15)10(16-8)9-2-5-20-6-9/h2,5-6,8,10,16H,3-4,7H2,1H3
InChIKeyLSBQQYABDCMQBV-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.15
Rot. Bonds5

About 5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one

5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (PubChem CID 83263550) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
PubChem CID83263550
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C12H15F3N2O2S/c1-8-11(18)17(3-4-19-7-12(13,14)15)10(16-8)9-2-5-20-6-9/h2,5-6,8,10,16H,3-4,7H2,1H3
InChIKeyLSBQQYABDCMQBV-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-Methoxyethyl)-1-(thiophen-3-ylmethyl)-1-(2,2,2-trifluoroethyl)urea
CID 49717297
1-[2-[Cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one
CID 47454041
(2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide
CID 23648628
2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26650532
5-(2-Methylpropyl)-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83249112
5-Butan-2-yl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83249632
5-Butyl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83250190
5-Butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83250769
5-Propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83250858
5-Butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83251108
5-Ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83251189
5-Thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83251275

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The IUPAC name of 5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (CID 83263550) is 5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The canonical SMILES for 5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is CC1NC(c2ccsc2)N(CCOCC(F)(F)F)C1=O.
What is the InChIKey of 5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The InChIKey is LSBQQYABDCMQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-8-11(18)17(3-4-19-7-12(13,14)15)10(16-8)9-2-5-20-6-9/h2,5-6,8,10,16H,3-4,7H2,1H3.
What are the key properties of 5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one has a molecular weight of 308.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83263550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).