4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole

C19H10F3N5S — CID 118732799

About 4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole

4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole (PubChem CID 118732799) has the molecular formula C19H10F3N5S and a molecular weight of 397.39 g/mol. Its IUPAC name is 4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole
• PubChem CID: 118732799
• Molecular Formula: C19H10F3N5S
• Molecular Weight: 397.39 g/mol
• Exact Mass: 397.06
• IUPAC Name: 4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole
• SMILES: Fc1cc(-c2cscn2)cn2c(C(F)(F)c3ccc4ncccc4c3)nnc12
• InChI: InChI=1S/C19H10F3N5S/c20-14-7-12(16-9-28-10-24-16)8-27-17(14)25-26-18(27)19(21,22)13-3-4-15-11(6-13)2-1-5-23-15/h1-10H
• InChIKey: SSQPOXFZVULSCX-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 55.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.39
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole?

The IUPAC name of 4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole (CID 118732799) is 4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole.

What is the SMILES notation for 4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole?

The canonical SMILES for 4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole is Fc1cc(-c2cscn2)cn2c(C(F)(F)c3ccc4ncccc4c3)nnc12.

What is the InChIKey of 4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole?

The InChIKey is SSQPOXFZVULSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F3N5S/c20-14-7-12(16-9-28-10-24-16)8-27-17(14)25-26-18(27)19(21,22)13-3-4-15-11(6-13)2-1-5-23-15/h1-10H.

What are the key properties of 4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole?

4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole has a molecular weight of 397.39 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole is sourced from PubChem (CID 118732799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).