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

C26H17FN4O3S — CID 4678264

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

5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 4678264) has the molecular formula C26H17FN4O3S and a molecular weight of 484.51 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

• Compound Name: 5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• PubChem CID: 4678264
• Molecular Formula: C26H17FN4O3S
• Molecular Weight: 484.51 g/mol
• Exact Mass: 484.10
• IUPAC Name: 5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• SMILES: COc1ccccc1-c1nc2sc(=C3C(=O)N(Cc4ccccc4F)c4ccccc43)c(=O)n2n1
• InChI: InChI=1S/C26H17FN4O3S/c1-34-20-13-7-4-10-17(20)23-28-26-31(29-23)25(33)22(35-26)21-16-9-3-6-12-19(16)30(24(21)32)14-15-8-2-5-11-18(15)27/h2-13H,14H2,1H3
• InChIKey: TWKGQDTZBAWFIB-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 76.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.51
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 4678264) is 5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

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

The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1ccccc1-c1nc2sc(=C3C(=O)N(Cc4ccccc4F)c4ccccc43)c(=O)n2n1.

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

The InChIKey is TWKGQDTZBAWFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN4O3S/c1-34-20-13-7-4-10-17(20)23-28-26-31(29-23)25(33)22(35-26)21-16-9-3-6-12-19(16)30(24(21)32)14-15-8-2-5-11-18(15)27/h2-13H,14H2,1H3.

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

5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 484.51 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 4678264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).