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

C21H26FN5O3S — CID 58795941

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

(2Z)-2-cyano-2-[(5E)-5-[[3-[2-(dimethylamino)ethoxy]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide (PubChem CID 58795941) has the molecular formula C21H26FN5O3S and a molecular weight of 447.54 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-5-[[3-[2-(dimethylamino)ethoxy]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-(dimethylamino)ethoxy]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide
• PubChem CID: 58795941
• Molecular Formula: C21H26FN5O3S
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.17
• IUPAC Name: (2Z)-2-cyano-2-[(5E)-5-[[3-[2-(dimethylamino)ethoxy]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide
• SMILES: CCn1c(=O)/c(=C\Nc2cccc(OCCN(C)C)c2)s/c1=C(/C#N)C(=O)NCCF
• InChI: InChI=1S/C21H26FN5O3S/c1-4-27-20(29)18(31-21(27)17(13-23)19(28)24-9-8-22)14-25-15-6-5-7-16(12-15)30-11-10-26(2)3/h5-7,12,14,25H,4,8-11H2,1-3H3,(H,24,28)/b18-14+,21-17-
• InChIKey: JYWNUZODIAFMOA-XBJGNNPPSA-N
• XLogP: 0.48
• TPSA: 99.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5E)-5-[[3-[2-(dimethylamino)ethoxy]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-(dimethylamino)ethoxy]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide (CID 58795941) is (2Z)-2-cyano-2-[(5E)-5-[[3-[2-(dimethylamino)ethoxy]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-(dimethylamino)ethoxy]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-(dimethylamino)ethoxy]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide is CCn1c(=O)/c(=C\Nc2cccc(OCCN(C)C)c2)s/c1=C(/C#N)C(=O)NCCF.

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

The InChIKey is JYWNUZODIAFMOA-XBJGNNPPSA-N. The full InChI is InChI=1S/C21H26FN5O3S/c1-4-27-20(29)18(31-21(27)17(13-23)19(28)24-9-8-22)14-25-15-6-5-7-16(12-15)30-11-10-26(2)3/h5-7,12,14,25H,4,8-11H2,1-3H3,(H,24,28)/b18-14+,21-17-.

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

(2Z)-2-cyano-2-[(5E)-5-[[3-[2-(dimethylamino)ethoxy]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide has a molecular weight of 447.54 g/mol, XLogP of 0.48, 10 rotatable bonds, 2 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-(dimethylamino)ethoxy]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-fluoroethyl)acetamide is sourced from PubChem (CID 58795941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).