2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C20H14FN3O2S — CID 3490962

About 2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 3490962) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

• Compound Name: 2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
• PubChem CID: 3490962
• Molecular Formula: C20H14FN3O2S
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.08
• IUPAC Name: 2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
• SMILES: Cc1ccc(Cc2nn3c(=O)c(=Cc4ccc(F)cc4)sc3nc2=O)cc1
• InChI: InChI=1S/C20H14FN3O2S/c1-12-2-4-13(5-3-12)10-16-18(25)22-20-24(23-16)19(26)17(27-20)11-14-6-8-15(21)9-7-14/h2-9,11H,10H2,1H3
• InChIKey: WEHGDDHACGVIDD-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 64.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_H(5)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?

The IUPAC name of 2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 3490962) is 2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

What is the SMILES notation for 2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?

The canonical SMILES for 2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is Cc1ccc(Cc2nn3c(=O)c(=Cc4ccc(F)cc4)sc3nc2=O)cc1.

What is the InChIKey of 2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?

The InChIKey is WEHGDDHACGVIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c1-12-2-4-13(5-3-12)10-16-18(25)22-20-24(23-16)19(26)17(27-20)11-14-6-8-15(21)9-7-14/h2-9,11H,10H2,1H3.

What are the key properties of 2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?

2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 379.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 3490962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).