(2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

C21H26F3N5O3S — CID 89377646

About (2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

(2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 89377646) has the molecular formula C21H26F3N5O3S and a molecular weight of 485.53 g/mol. Its IUPAC name is (2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: (2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 89377646
• Molecular Formula: C21H26F3N5O3S
• Molecular Weight: 485.53 g/mol
• Exact Mass: 485.17
• IUPAC Name: (2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: CCn1c(=O)c(=C=CNc2ccc(OCCN(C)C)cc2)s/c1=C(/N)C(=O)NCC(F)(F)F
• InChI: InChI=1S/C21H26F3N5O3S/c1-4-29-19(31)16(33-20(29)17(25)18(30)27-13-21(22,23)24)9-10-26-14-5-7-15(8-6-14)32-12-11-28(2)3/h5-8,10,26H,4,11-13,25H2,1-3H3,(H,27,30)/b20-17+
• InChIKey: REOYNQCTZRIWQF-LVZFUZTISA-N
• XLogP: 0.62
• TPSA: 101.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.53
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The IUPAC name of (2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (CID 89377646) is (2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for (2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for (2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=O)c(=C=CNc2ccc(OCCN(C)C)cc2)s/c1=C(/N)C(=O)NCC(F)(F)F.

What is the InChIKey of (2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is REOYNQCTZRIWQF-LVZFUZTISA-N. The full InChI is InChI=1S/C21H26F3N5O3S/c1-4-29-19(31)16(33-20(29)17(25)18(30)27-13-21(22,23)24)9-10-26-14-5-7-15(8-6-14)32-12-11-28(2)3/h5-8,10,26H,4,11-13,25H2,1-3H3,(H,27,30)/b20-17+.

What are the key properties of (2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

(2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 485.53 g/mol, XLogP of 0.62, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-amino-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 89377646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).