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

C30H25F3N2O5S — CID 6519853

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

ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 6519853) has the molecular formula C30H25F3N2O5S and a molecular weight of 582.60 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 6519853
• Molecular Formula: C30H25F3N2O5S
• Molecular Weight: 582.60 g/mol
• Exact Mass: 582.14
• IUPAC Name: ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCOC(=O)/C=c1\s/c(=C\c2ccccc2C(F)(F)F)c(=O)n1CC(=O)Nc1ccc(OCc2ccccc2)cc1
• InChI: InChI=1S/C30H25F3N2O5S/c1-2-39-28(37)17-27-35(29(38)25(41-27)16-21-10-6-7-11-24(21)30(31,32)33)18-26(36)34-22-12-14-23(15-13-22)40-19-20-8-4-3-5-9-20/h3-17H,2,18-19H2,1H3,(H,34,36)/b25-16-,27-17-
• InChIKey: HTAFXZODWPCDAY-DCGMBIFNSA-N
• XLogP: 4.32
• TPSA: 86.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.60
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?

The IUPAC name of ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate (CID 6519853) is ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate.

What is the SMILES notation for ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?

The canonical SMILES for ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C\c2ccccc2C(F)(F)F)c(=O)n1CC(=O)Nc1ccc(OCc2ccccc2)cc1.

What is the InChIKey of ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?

The InChIKey is HTAFXZODWPCDAY-DCGMBIFNSA-N. The full InChI is InChI=1S/C30H25F3N2O5S/c1-2-39-28(37)17-27-35(29(38)25(41-27)16-21-10-6-7-11-24(21)30(31,32)33)18-26(36)34-22-12-14-23(15-13-22)40-19-20-8-4-3-5-9-20/h3-17H,2,18-19H2,1H3,(H,34,36)/b25-16-,27-17-.

What are the key properties of ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?

ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 582.60 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 6519853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).