5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C18H12FN3O2S — CID 3821236

About 5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 3821236) has the molecular formula C18H12FN3O2S and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

• Compound Name: 5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• PubChem CID: 3821236
• Molecular Formula: C18H12FN3O2S
• Molecular Weight: 353.38 g/mol
• Exact Mass: 353.06
• IUPAC Name: 5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• SMILES: COc1ccccc1-c1nc2sc(=Cc3ccc(F)cc3)c(=O)n2n1
• InChI: InChI=1S/C18H12FN3O2S/c1-24-14-5-3-2-4-13(14)16-20-18-22(21-16)17(23)15(25-18)10-11-6-8-12(19)9-7-11/h2-10H,1H3
• InChIKey: VXTISCPFXZOMMO-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 56.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.38
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The IUPAC name of 5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 3821236) is 5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

What is the SMILES notation for 5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The canonical SMILES for 5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1ccccc1-c1nc2sc(=Cc3ccc(F)cc3)c(=O)n2n1.

What is the InChIKey of 5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The InChIKey is VXTISCPFXZOMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S/c1-24-14-5-3-2-4-13(14)16-20-18-22(21-16)17(23)15(25-18)10-11-6-8-12(19)9-7-11/h2-10H,1H3.

What are the key properties of 5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 353.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 3821236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).