(2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

C26H31F3N6O4S — CID 58795844

About (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

(2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58795844) has the molecular formula C26H31F3N6O4S and a molecular weight of 580.63 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 58795844
• Molecular Formula: C26H31F3N6O4S
• Molecular Weight: 580.63 g/mol
• Exact Mass: 580.21
• IUPAC Name: (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: CCn1c(=O)/c(=C\Nc2cccc(N(C)C(=O)CN3CC(C)OC(C)C3)c2)s/c1=C(/C#N)C(=O)NCC(F)(F)F
• InChI: InChI=1S/C26H31F3N6O4S/c1-5-35-24(38)21(40-25(35)20(10-30)23(37)32-15-26(27,28)29)11-31-18-7-6-8-19(9-18)33(4)22(36)14-34-12-16(2)39-17(3)13-34/h6-9,11,16-17,31H,5,12-15H2,1-4H3,(H,32,37)/b21-11+,25-20-
• InChIKey: CJZRQYKPIVQMBR-YDPPXRJMSA-N
• XLogP: 1.20
• TPSA: 119.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.63
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The IUPAC name of (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (CID 58795844) is (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=O)/c(=C\Nc2cccc(N(C)C(=O)CN3CC(C)OC(C)C3)c2)s/c1=C(/C#N)C(=O)NCC(F)(F)F.

What is the InChIKey of (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is CJZRQYKPIVQMBR-YDPPXRJMSA-N. The full InChI is InChI=1S/C26H31F3N6O4S/c1-5-35-24(38)21(40-25(35)20(10-30)23(37)32-15-26(27,28)29)11-31-18-7-6-8-19(9-18)33(4)22(36)14-34-12-16(2)39-17(3)13-34/h6-9,11,16-17,31H,5,12-15H2,1-4H3,(H,32,37)/b21-11+,25-20-.

What are the key properties of (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

(2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 580.63 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-2-[(5E)-5-[[3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58795844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).