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

C16H15FN2O4S — CID 2541932

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

ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2541932) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 2541932
• Molecular Formula: C16H15FN2O4S
• Molecular Weight: 350.37 g/mol
• Exact Mass: 350.07
• IUPAC Name: ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCOC(=O)/C=c1\s/c(=C\c2ccc(F)cc2)c(=O)n1CC(N)=O
• InChI: InChI=1S/C16H15FN2O4S/c1-2-23-15(21)8-14-19(9-13(18)20)16(22)12(24-14)7-10-3-5-11(17)6-4-10/h3-8H,2,9H2,1H3,(H2,18,20)/b12-7-,14-8-
• InChIKey: VPLKWUKWHJOEHD-FFNMSDODSA-N
• XLogP: -0.29
• TPSA: 91.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.37
LogP ≤ 5	-0.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 2541932) is ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

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

The canonical SMILES for ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C\c2ccc(F)cc2)c(=O)n1CC(N)=O.

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

The InChIKey is VPLKWUKWHJOEHD-FFNMSDODSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c1-2-23-15(21)8-14-19(9-13(18)20)16(22)12(24-14)7-10-3-5-11(17)6-4-10/h3-8H,2,9H2,1H3,(H2,18,20)/b12-7-,14-8-.

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

ethyl (2Z)-2-[(5Z)-3-(2-amino-2-oxoethyl)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 350.37 g/mol, XLogP of -0.29, 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)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2541932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).