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

C16H18F3N3O2S — CID 3245042

IUPAC2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC/N=C1/SC(CC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1CC
InChIInChI=1S/C16H18F3N3O2S/c1-3-20-15-22(4-2)14(24)12(25-15)9-13(23)21-11-7-5-10(6-8-11)16(17,18)19/h5-8,12H,3-4,9H2,1-2H3,(H,21,23)/b20-15+
InChIKeyPOUYHGGAOYKPBF-HMMYKYKNSA-N
MW373.40 g/mol
LogP3.37
Rot. Bonds5

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

2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 3245042) 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-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID3245042
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC/N=C1/SC(CC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1CC
InChIInChI=1S/C16H18F3N3O2S/c1-3-20-15-22(4-2)14(24)12(25-15)9-13(23)21-11-7-5-10(6-8-11)16(17,18)19/h5-8,12H,3-4,9H2,1-2H3,(H,21,23)/b20-15+
InChIKeyPOUYHGGAOYKPBF-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 3245042) is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is CC/N=C1/SC(CC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1CC.
What is the InChIKey of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is POUYHGGAOYKPBF-HMMYKYKNSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c1-3-20-15-22(4-2)14(24)12(25-15)9-13(23)21-11-7-5-10(6-8-11)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-[4-(trifluoromethyl)phenyl]acetamide?
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(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-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3245042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).