2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C16H18F3N3O2S — CID 2867206

IUPAC2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC/N=C1/SC(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1CC
InChIInChI=1S/C16H18F3N3O2S/c1-3-20-15-22(4-2)14(24)12(25-15)9-13(23)21-11-7-5-6-10(8-11)16(17,18)19/h5-8,12H,3-4,9H2,1-2H3,(H,21,23)/b20-15+
InChIKeyGBRVMTXTLBRRKE-HMMYKYKNSA-N
MW373.40 g/mol
LogP3.37
Rot. Bonds5

About 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2867206) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2867206
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC/N=C1/SC(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1CC
InChIInChI=1S/C16H18F3N3O2S/c1-3-20-15-22(4-2)14(24)12(25-15)9-13(23)21-11-7-5-6-10(8-11)16(17,18)19/h5-8,12H,3-4,9H2,1-2H3,(H,21,23)/b20-15+
InChIKeyGBRVMTXTLBRRKE-HMMYKYKNSA-N
XLogP3.37
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-
CID 4123591
N-(3-{2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-methylpropanamide
CID 166572
Butamisole Hydrochloride
CID 76964744
[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl] N'-phenylcarbamimidothioate
CID 2833590
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide
CID 651069
2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)-N-phenylacetamide
CID 661432
2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide hydrochloride
CID 16194782
N-(2,4-dimethylphenyl)-2-(3-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 2981149
2-[2-(cyclohexylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135401378
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135403876
Butamisole
CID 76964745
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 647039

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2867206) is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is CC/N=C1/SC(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1CC.
What is the InChIKey of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GBRVMTXTLBRRKE-HMMYKYKNSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c1-3-20-15-22(4-2)14(24)12(25-15)9-13(23)21-11-7-5-6-10(8-11)16(17,18)19/h5-8,12H,3-4,9H2,1-2H3,(H,21,23)/b20-15+.
What are the key properties of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 373.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2867206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).