ethyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-methylanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C18H19N3O3S — CID 58813091

About ethyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-methylanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-methylanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 58813091) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is ethyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-methylanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-methylanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 58813091
• Molecular Formula: C18H19N3O3S
• Molecular Weight: 357.44 g/mol
• Exact Mass: 357.11
• IUPAC Name: ethyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-methylanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCOC(=O)/C(C#N)=c1\s/c(=C/Nc2ccc(C)cc2)c(=O)n1CC
• InChI: InChI=1S/C18H19N3O3S/c1-4-21-16(22)15(11-20-13-8-6-12(3)7-9-13)25-17(21)14(10-19)18(23)24-5-2/h6-9,11,20H,4-5H2,1-3H3/b15-11+,17-14-
• InChIKey: LJKFNKDTNHGQJD-IQOWBAITSA-N
• XLogP: 1.33
• TPSA: 84.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.44
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-methylanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 58813091) is ethyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-methylanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

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

The canonical SMILES for ethyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-methylanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C(C#N)=c1\s/c(=C/Nc2ccc(C)cc2)c(=O)n1CC.

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

The InChIKey is LJKFNKDTNHGQJD-IQOWBAITSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-21-16(22)15(11-20-13-8-6-12(3)7-9-13)25-17(21)14(10-19)18(23)24-5-2/h6-9,11,20H,4-5H2,1-3H3/b15-11+,17-14-.

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

ethyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-methylanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 357.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-methylanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 58813091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).