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

C23H30N6O6S — CID 71023821

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

2-cyano-2-[3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (PubChem CID 71023821) has the molecular formula C23H30N6O6S and a molecular weight of 518.60 g/mol. Its IUPAC name is 2-cyano-2-[3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-cyano-2-[3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
• PubChem CID: 71023821
• Molecular Formula: C23H30N6O6S
• Molecular Weight: 518.60 g/mol
• Exact Mass: 518.19
• IUPAC Name: 2-cyano-2-[3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
• SMILES: CCn1c(=C(C#N)C(=O)NC(C)(C)CO)sc(=CNc2cccc(NC(=O)COCCOC)n2)c1=O
• InChI: InChI=1S/C23H30N6O6S/c1-5-29-21(33)16(36-22(29)15(11-24)20(32)28-23(2,3)14-30)12-25-17-7-6-8-18(26-17)27-19(31)13-35-10-9-34-4/h6-8,12,30H,5,9-10,13-14H2,1-4H3,(H,28,32)(H2,25,26,27,31)
• InChIKey: ALEIHSXFOGLTJA-UHFFFAOYSA-N
• XLogP: -0.66
• TPSA: 167.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.60
LogP ≤ 5	-0.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-cyano-2-[3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (CID 71023821) is 2-cyano-2-[3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.

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

The canonical SMILES for 2-cyano-2-[3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is CCn1c(=C(C#N)C(=O)NC(C)(C)CO)sc(=CNc2cccc(NC(=O)COCCOC)n2)c1=O.

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

The InChIKey is ALEIHSXFOGLTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O6S/c1-5-29-21(33)16(36-22(29)15(11-24)20(32)28-23(2,3)14-30)12-25-17-7-6-8-18(26-17)27-19(31)13-35-10-9-34-4/h6-8,12,30H,5,9-10,13-14H2,1-4H3,(H,28,32)(H2,25,26,27,31).

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

2-cyano-2-[3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide has a molecular weight of 518.60 g/mol, XLogP of -0.66, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-2-[3-ethyl-5-[[[6-[[2-(2-methoxyethoxy)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 71023821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).