ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C24H23FN2O5S — CID 24582982

About ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 24582982) has the molecular formula C24H23FN2O5S and a molecular weight of 470.52 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 24582982
• Molecular Formula: C24H23FN2O5S
• Molecular Weight: 470.52 g/mol
• Exact Mass: 470.13
• IUPAC Name: ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCOC(=O)/C=c1\s/c(=C\c2ccc(OC)c(C)c2)c(=O)n1CC(=O)Nc1cccc(F)c1
• InChI: InChI=1S/C24H23FN2O5S/c1-4-32-23(29)13-22-27(14-21(28)26-18-7-5-6-17(25)12-18)24(30)20(33-22)11-16-8-9-19(31-3)15(2)10-16/h5-13H,4,14H2,1-3H3,(H,26,28)/b20-11-,22-13-
• InChIKey: KLYNVPPSEYOIGC-CSMNIASASA-N
• XLogP: 2.18
• TPSA: 86.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.52
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The IUPAC name of ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 24582982) is ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

What is the SMILES notation for ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The canonical SMILES for ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C\c2ccc(OC)c(C)c2)c(=O)n1CC(=O)Nc1cccc(F)c1.

What is the InChIKey of ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The InChIKey is KLYNVPPSEYOIGC-CSMNIASASA-N. The full InChI is InChI=1S/C24H23FN2O5S/c1-4-32-23(29)13-22-27(14-21(28)26-18-7-5-6-17(25)12-18)24(30)20(33-22)11-16-8-9-19(31-3)15(2)10-16/h5-13H,4,14H2,1-3H3,(H,26,28)/b20-11-,22-13-.

What are the key properties of ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 470.52 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 24582982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).