(2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile

C30H23FN6O2S — CID 2320493

About (2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile

(2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile (PubChem CID 2320493) has the molecular formula C30H23FN6O2S and a molecular weight of 550.62 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile.

Molecular Properties

• Compound Name: (2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile
• PubChem CID: 2320493
• Molecular Formula: C30H23FN6O2S
• Molecular Weight: 550.62 g/mol
• Exact Mass: 550.16
• IUPAC Name: (2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile
• SMILES: N#C/C(c1nnc(N2CCOCC2)n1-c1ccccc1)=c1/s/c(=C\c2ccc(F)cc2)c(=O)n1-c1ccccc1
• InChI: InChI=1S/C30H23FN6O2S/c31-22-13-11-21(12-14-22)19-26-28(38)37(24-9-5-2-6-10-24)29(40-26)25(20-32)27-33-34-30(35-15-17-39-18-16-35)36(27)23-7-3-1-4-8-23/h1-14,19H,15-18H2/b26-19-,29-25-
• InChIKey: ONUDJFMOFYIJGD-NMIIRPGCSA-N
• XLogP: 3.01
• TPSA: 88.97 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.62
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile?

The IUPAC name of (2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile (CID 2320493) is (2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile.

What is the SMILES notation for (2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile?

The canonical SMILES for (2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile is N#C/C(c1nnc(N2CCOCC2)n1-c1ccccc1)=c1/s/c(=C\c2ccc(F)cc2)c(=O)n1-c1ccccc1.

What is the InChIKey of (2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile?

The InChIKey is ONUDJFMOFYIJGD-NMIIRPGCSA-N. The full InChI is InChI=1S/C30H23FN6O2S/c31-22-13-11-21(12-14-22)19-26-28(38)37(24-9-5-2-6-10-24)29(40-26)25(20-32)27-33-34-30(35-15-17-39-18-16-35)36(27)23-7-3-1-4-8-23/h1-14,19H,15-18H2/b26-19-,29-25-.

What are the key properties of (2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile?

(2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile has a molecular weight of 550.62 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile is sourced from PubChem (CID 2320493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).