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

C30H19FN4O3S — CID 2369132

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

(2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide (PubChem CID 2369132) has the molecular formula C30H19FN4O3S and a molecular weight of 534.57 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide
• PubChem CID: 2369132
• Molecular Formula: C30H19FN4O3S
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.12
• IUPAC Name: (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide
• SMILES: N#C/C(C(=O)Nc1ccccc1Oc1ccccc1)=c1/s/c(=C\c2ccccn2)c(=O)n1-c1ccc(F)cc1
• InChI: InChI=1S/C30H19FN4O3S/c31-20-13-15-22(16-14-20)35-29(37)27(18-21-8-6-7-17-33-21)39-30(35)24(19-32)28(36)34-25-11-4-5-12-26(25)38-23-9-2-1-3-10-23/h1-18H,(H,34,36)/b27-18-,30-24-
• InChIKey: GFSBSOSKTNSUKL-OFSPFINJSA-N
• XLogP: 4.37
• TPSA: 97.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide (CID 2369132) is (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide.

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

The canonical SMILES for (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide is N#C/C(C(=O)Nc1ccccc1Oc1ccccc1)=c1/s/c(=C\c2ccccn2)c(=O)n1-c1ccc(F)cc1.

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

The InChIKey is GFSBSOSKTNSUKL-OFSPFINJSA-N. The full InChI is InChI=1S/C30H19FN4O3S/c31-20-13-15-22(16-14-20)35-29(37)27(18-21-8-6-7-17-33-21)39-30(35)24(19-32)28(36)34-25-11-4-5-12-26(25)38-23-9-2-1-3-10-23/h1-18H,(H,34,36)/b27-18-,30-24-.

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

(2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 534.57 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 2369132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).