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

C22H14ClN3O3S — CID 5226237

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

5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 5226237) has the molecular formula C22H14ClN3O3S and a molecular weight of 435.89 g/mol. Its IUPAC name is 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

• Compound Name: 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• PubChem CID: 5226237
• Molecular Formula: C22H14ClN3O3S
• Molecular Weight: 435.89 g/mol
• Exact Mass: 435.04
• IUPAC Name: 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• SMILES: COc1ccccc1-c1nc2sc(=Cc3ccc(-c4cccc(Cl)c4)o3)c(=O)n2n1
• InChI: InChI=1S/C22H14ClN3O3S/c1-28-18-8-3-2-7-16(18)20-24-22-26(25-20)21(27)19(30-22)12-15-9-10-17(29-15)13-5-4-6-14(23)11-13/h2-12H,1H3
• InChIKey: PTCJKNDNKUVFLB-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 69.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.89
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 5226237) is 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

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

The canonical SMILES for 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1ccccc1-c1nc2sc(=Cc3ccc(-c4cccc(Cl)c4)o3)c(=O)n2n1.

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

The InChIKey is PTCJKNDNKUVFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3O3S/c1-28-18-8-3-2-7-16(18)20-24-22-26(25-20)21(27)19(30-22)12-15-9-10-17(29-15)13-5-4-6-14(23)11-13/h2-12H,1H3.

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

5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 435.89 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 5226237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).