ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C22H24ClFN2O4S — CID 2492543

About ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2492543) has the molecular formula C22H24ClFN2O4S and a molecular weight of 466.96 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 2492543
• Molecular Formula: C22H24ClFN2O4S
• Molecular Weight: 466.96 g/mol
• Exact Mass: 466.11
• IUPAC Name: ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• SMILES: C=C(C)CN(CC)C(=O)Cn1c(=O)/c(=C/c2c(F)cccc2Cl)s/c1=C\C(=O)OCC
• InChI: InChI=1S/C22H24ClFN2O4S/c1-5-25(12-14(3)4)19(27)13-26-20(11-21(28)30-6-2)31-18(22(26)29)10-15-16(23)8-7-9-17(15)24/h7-11H,3,5-6,12-13H2,1-2,4H3/b18-10-,20-11-
• InChIKey: IYYVPNWRZNMRSS-GSUVBEQCSA-N
• XLogP: 2.30
• TPSA: 68.61 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.96
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The IUPAC name of ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 2492543) is ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

What is the SMILES notation for ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The canonical SMILES for ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is C=C(C)CN(CC)C(=O)Cn1c(=O)/c(=C/c2c(F)cccc2Cl)s/c1=C\C(=O)OCC.

What is the InChIKey of ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The InChIKey is IYYVPNWRZNMRSS-GSUVBEQCSA-N. The full InChI is InChI=1S/C22H24ClFN2O4S/c1-5-25(12-14(3)4)19(27)13-26-20(11-21(28)30-6-2)31-18(22(26)29)10-15-16(23)8-7-9-17(15)24/h7-11H,3,5-6,12-13H2,1-2,4H3/b18-10-,20-11-.

What are the key properties of ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 466.96 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2492543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).