(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C22H27N5O5S — CID 58813070

About (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 58813070) has the molecular formula C22H27N5O5S and a molecular weight of 473.56 g/mol. Its IUPAC name is (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 58813070
• Molecular Formula: C22H27N5O5S
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.17
• IUPAC Name: (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: CCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(NC(=O)COCCOC)c2)c(=O)n1CC
• InChI: InChI=1S/C22H27N5O5S/c1-4-24-20(29)17(12-23)22-27(5-2)21(30)18(33-22)13-25-15-7-6-8-16(11-15)26-19(28)14-32-10-9-31-3/h6-8,11,13,25H,4-5,9-10,14H2,1-3H3,(H,24,29)(H,26,28)/b18-13+,22-17-
• InChIKey: BGSAQBYGBTZWCR-NXNKHYCMSA-N
• XLogP: 0.19
• TPSA: 134.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	0.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The IUPAC name of (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 58813070) is (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

What is the SMILES notation for (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The canonical SMILES for (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(NC(=O)COCCOC)c2)c(=O)n1CC.

What is the InChIKey of (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The InChIKey is BGSAQBYGBTZWCR-NXNKHYCMSA-N. The full InChI is InChI=1S/C22H27N5O5S/c1-4-24-20(29)17(12-23)22-27(5-2)21(30)18(33-22)13-25-15-7-6-8-16(11-15)26-19(28)14-32-10-9-31-3/h6-8,11,13,25H,4-5,9-10,14H2,1-3H3,(H,24,29)(H,26,28)/b18-13+,22-17-.

What are the key properties of (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 473.56 g/mol, XLogP of 0.19, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 58813070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).