ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate

C17H15F3N2O4S — CID 2546885

IUPACethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C\c2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O
InChIInChI=1S/C17H15F3N2O4S/c1-2-26-15(24)8-14-22(9-13(21)23)16(25)12(27-14)7-10-3-5-11(6-4-10)17(18,19)20/h3-8H,2,9H2,1H3,(H2,21,23)/b12-7-,14-8-
InChIKeyIUJHLWCBNFLRLS-FFNMSDODSA-N
MW400.38 g/mol
LogP0.59
Rot. Bonds5

About ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2546885) has the molecular formula C17H15F3N2O4S and a molecular weight of 400.38 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate
PubChem CID2546885
Molecular FormulaC17H15F3N2O4S
Molecular Weight400.38 g/mol
Exact Mass400.07
IUPAC Nameethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C\c2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O
InChIInChI=1S/C17H15F3N2O4S/c1-2-26-15(24)8-14-22(9-13(21)23)16(25)12(27-14)7-10-3-5-11(6-4-10)17(18,19)20/h3-8H,2,9H2,1H3,(H2,21,23)/b12-7-,14-8-
InChIKeyIUJHLWCBNFLRLS-FFNMSDODSA-N
XLogP0.59
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate (CID 2546885) is ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C\c2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O.
What is the InChIKey of ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is IUJHLWCBNFLRLS-FFNMSDODSA-N. The full InChI is InChI=1S/C17H15F3N2O4S/c1-2-26-15(24)8-14-22(9-13(21)23)16(25)12(27-14)7-10-3-5-11(6-4-10)17(18,19)20/h3-8H,2,9H2,1H3,(H2,21,23)/b12-7-,14-8-.
What are the key properties of ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 400.38 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2546885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).