5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C23H15Cl2N3O4S — CID 3698895

About 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 3698895) has the molecular formula C23H15Cl2N3O4S and a molecular weight of 500.36 g/mol. Its IUPAC name is 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

• Compound Name: 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• PubChem CID: 3698895
• Molecular Formula: C23H15Cl2N3O4S
• Molecular Weight: 500.36 g/mol
• Exact Mass: 499.02
• IUPAC Name: 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• SMILES: COc1ccc(-c2nc3sc(=Cc4ccc(-c5cc(Cl)ccc5Cl)o4)c(=O)n3n2)cc1OC
• InChI: InChI=1S/C23H15Cl2N3O4S/c1-30-18-7-3-12(9-19(18)31-2)21-26-23-28(27-21)22(29)20(33-23)11-14-5-8-17(32-14)15-10-13(24)4-6-16(15)25/h3-11H,1-2H3
• InChIKey: FVNJFEFMZNGGKO-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 78.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.36
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 3698895) is 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

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

The canonical SMILES for 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1ccc(-c2nc3sc(=Cc4ccc(-c5cc(Cl)ccc5Cl)o4)c(=O)n3n2)cc1OC.

What is the InChIKey of 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The InChIKey is FVNJFEFMZNGGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N3O4S/c1-30-18-7-3-12(9-19(18)31-2)21-26-23-28(27-21)22(29)20(33-23)11-14-5-8-17(32-14)15-10-13(24)4-6-16(15)25/h3-11H,1-2H3.

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

5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 500.36 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 3698895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).