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

C23H29FN6O3S — CID 58796528

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

(2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(diethylamino)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide (PubChem CID 58796528) has the molecular formula C23H29FN6O3S and a molecular weight of 488.59 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(diethylamino)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(diethylamino)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide
• PubChem CID: 58796528
• Molecular Formula: C23H29FN6O3S
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.20
• IUPAC Name: (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(diethylamino)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide
• SMILES: CCN(CC)CC(=O)Nc1cccc(N/C=c2/s/c(=C(/C#N)C(=O)NCCF)n(CC)c2=O)c1
• InChI: InChI=1S/C23H29FN6O3S/c1-4-29(5-2)15-20(31)28-17-9-7-8-16(12-17)27-14-19-22(33)30(6-3)23(34-19)18(13-25)21(32)26-11-10-24/h7-9,12,14,27H,4-6,10-11,15H2,1-3H3,(H,26,32)(H,28,31)/b19-14+,23-18-
• InChIKey: XPUYMVFOVYQPMV-IVSMOVAOSA-N
• XLogP: 0.82
• TPSA: 119.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(diethylamino)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide (CID 58796528) is (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(diethylamino)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide.

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

The canonical SMILES for (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(diethylamino)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide is CCN(CC)CC(=O)Nc1cccc(N/C=c2/s/c(=C(/C#N)C(=O)NCCF)n(CC)c2=O)c1.

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

The InChIKey is XPUYMVFOVYQPMV-IVSMOVAOSA-N. The full InChI is InChI=1S/C23H29FN6O3S/c1-4-29(5-2)15-20(31)28-17-9-7-8-16(12-17)27-14-19-22(33)30(6-3)23(34-19)18(13-25)21(32)26-11-10-24/h7-9,12,14,27H,4-6,10-11,15H2,1-3H3,(H,26,32)(H,28,31)/b19-14+,23-18-.

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

(2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(diethylamino)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide has a molecular weight of 488.59 g/mol, XLogP of 0.82, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(diethylamino)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide is sourced from PubChem (CID 58796528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).