2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C23H29N5O4S — CID 71210795

About 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 71210795) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 71210795
• Molecular Formula: C23H29N5O4S
• Molecular Weight: 471.58 g/mol
• Exact Mass: 471.19
• IUPAC Name: 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: CCNC(=O)C(C#N)=c1sc(=CNc2cccc(OCCN3CCOCC3)c2)c(=O)n1CC
• InChI: InChI=1S/C23H29N5O4S/c1-3-25-21(29)19(15-24)23-28(4-2)22(30)20(33-23)16-26-17-6-5-7-18(14-17)32-13-10-27-8-11-31-12-9-27/h5-7,14,16,26H,3-4,8-13H2,1-2H3,(H,25,29)
• InChIKey: KMSDRKCYRCAUIO-UHFFFAOYSA-N
• XLogP: 0.30
• TPSA: 108.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.58
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The IUPAC name of 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 71210795) is 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

What is the SMILES notation for 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The canonical SMILES for 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCNC(=O)C(C#N)=c1sc(=CNc2cccc(OCCN3CCOCC3)c2)c(=O)n1CC.

What is the InChIKey of 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The InChIKey is KMSDRKCYRCAUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-3-25-21(29)19(15-24)23-28(4-2)22(30)20(33-23)16-26-17-6-5-7-18(14-17)32-13-10-27-8-11-31-12-9-27/h5-7,14,16,26H,3-4,8-13H2,1-2H3,(H,25,29).

What are the key properties of 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 471.58 g/mol, XLogP of 0.30, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-(2-morpholin-4-ylethoxy)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 71210795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).