(2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide

C24H22FN5O3S — CID 2488074

About (2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide

(2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 2488074) has the molecular formula C24H22FN5O3S and a molecular weight of 479.54 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide
• PubChem CID: 2488074
• Molecular Formula: C24H22FN5O3S
• Molecular Weight: 479.54 g/mol
• Exact Mass: 479.14
• IUPAC Name: (2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide
• SMILES: N#C/C(C(=O)NCCN1CCOCC1)=c1/s/c(=C/c2ccccn2)c(=O)n1-c1ccc(F)cc1
• InChI: InChI=1S/C24H22FN5O3S/c25-17-4-6-19(7-5-17)30-23(32)21(15-18-3-1-2-8-27-18)34-24(30)20(16-26)22(31)28-9-10-29-11-13-33-14-12-29/h1-8,15H,9-14H2,(H,28,31)/b21-15+,24-20-
• InChIKey: PAWLQBSTIWUKKT-VIJRKPPOSA-N
• XLogP: 0.38
• TPSA: 100.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.54
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide?

The IUPAC name of (2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide (CID 2488074) is (2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide.

What is the SMILES notation for (2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide?

The canonical SMILES for (2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide is N#C/C(C(=O)NCCN1CCOCC1)=c1/s/c(=C/c2ccccn2)c(=O)n1-c1ccc(F)cc1.

What is the InChIKey of (2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide?

The InChIKey is PAWLQBSTIWUKKT-VIJRKPPOSA-N. The full InChI is InChI=1S/C24H22FN5O3S/c25-17-4-6-19(7-5-17)30-23(32)21(15-18-3-1-2-8-27-18)34-24(30)20(16-26)22(31)28-9-10-29-11-13-33-14-12-29/h1-8,15H,9-14H2,(H,28,31)/b21-15+,24-20-.

What are the key properties of (2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide?

(2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 479.54 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 2488074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).