(2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C21H23N7O5S — CID 58796053

About (2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 58796053) has the molecular formula C21H23N7O5S and a molecular weight of 485.53 g/mol. Its IUPAC name is (2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 58796053
• Molecular Formula: C21H23N7O5S
• Molecular Weight: 485.53 g/mol
• Exact Mass: 485.15
• IUPAC Name: (2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: CCn1c(=O)/c(=C\Nc2cccc(NC(=O)COCCOC)n2)s/c1=C(/C#N)C(=O)NCC#N
• InChI: InChI=1S/C21H23N7O5S/c1-3-28-20(31)15(34-21(28)14(11-23)19(30)24-8-7-22)12-25-16-5-4-6-17(26-16)27-18(29)13-33-10-9-32-2/h4-6,12H,3,8-10,13H2,1-2H3,(H,24,30)(H2,25,26,27,29)/b15-12+,21-14-
• InChIKey: MWSSDIYWVGYBDR-SGCHWIGPSA-N
• XLogP: -0.91
• TPSA: 171.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.53
LogP ≤ 5	-0.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The IUPAC name of (2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 58796053) is (2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

What is the SMILES notation for (2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The canonical SMILES for (2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCn1c(=O)/c(=C\Nc2cccc(NC(=O)COCCOC)n2)s/c1=C(/C#N)C(=O)NCC#N.

What is the InChIKey of (2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The InChIKey is MWSSDIYWVGYBDR-SGCHWIGPSA-N. The full InChI is InChI=1S/C21H23N7O5S/c1-3-28-20(31)15(34-21(28)14(11-23)19(30)24-8-7-22)12-25-16-5-4-6-17(26-16)27-18(29)13-33-10-9-32-2/h4-6,12H,3,8-10,13H2,1-2H3,(H,24,30)(H2,25,26,27,29)/b15-12+,21-14-.

What are the key properties of (2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

(2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 485.53 g/mol, XLogP of -0.91, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-N-(cyanomethyl)-2-[(5E)-3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 58796053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).