5-(2H-chromen-3-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C23H17N3O3S — CID 3385676

About 5-(2H-chromen-3-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

5-(2H-chromen-3-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 3385676) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is 5-(2H-chromen-3-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

• Compound Name: 5-(2H-chromen-3-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• PubChem CID: 3385676
• Molecular Formula: C23H17N3O3S
• Molecular Weight: 415.47 g/mol
• Exact Mass: 415.10
• IUPAC Name: 5-(2H-chromen-3-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• SMILES: COc1ccc(C=Cc2nc3sc(=CC4=Cc5ccccc5OC4)c(=O)n3n2)cc1
• InChI: InChI=1S/C23H17N3O3S/c1-28-18-9-6-15(7-10-18)8-11-21-24-23-26(25-21)22(27)20(30-23)13-16-12-17-4-2-3-5-19(17)29-14-16/h2-13H,14H2,1H3
• InChIKey: JBPOVGKZEJJKOL-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 65.72 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.47
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(2H-chromen-3-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 3385676) is 5-(2H-chromen-3-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

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

The canonical SMILES for 5-(2H-chromen-3-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1ccc(C=Cc2nc3sc(=CC4=Cc5ccccc5OC4)c(=O)n3n2)cc1.

What is the InChIKey of 5-(2H-chromen-3-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The InChIKey is JBPOVGKZEJJKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c1-28-18-9-6-15(7-10-18)8-11-21-24-23-26(25-21)22(27)20(30-23)13-16-12-17-4-2-3-5-19(17)29-14-16/h2-13H,14H2,1H3.

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

5-(2H-chromen-3-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 415.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2H-chromen-3-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 3385676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).