N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C24H23F3N6S2 — CID 126674211

About N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 126674211) has the molecular formula C24H23F3N6S2 and a molecular weight of 516.62 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 126674211
• Molecular Formula: C24H23F3N6S2
• Molecular Weight: 516.62 g/mol
• Exact Mass: 516.14
• IUPAC Name: N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: Cc1cc(N2CC3CCC(C2)C3Nc2nc3c(-c4ccc(SC(F)(F)F)cc4)cccn3n2)sn1
• InChI: InChI=1S/C24H23F3N6S2/c1-14-11-20(35-31-14)32-12-16-4-5-17(13-32)21(16)28-23-29-22-19(3-2-10-33(22)30-23)15-6-8-18(9-7-15)34-24(25,26)27/h2-3,6-11,16-17,21H,4-5,12-13H2,1H3,(H,28,30)
• InChIKey: NDUAUVMOARZCOD-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 58.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.62
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 126674211) is N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(N2CC3CCC(C2)C3Nc2nc3c(-c4ccc(SC(F)(F)F)cc4)cccn3n2)sn1.

What is the InChIKey of N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is NDUAUVMOARZCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6S2/c1-14-11-20(35-31-14)32-12-16-4-5-17(13-32)21(16)28-23-29-22-19(3-2-10-33(22)30-23)15-6-8-18(9-7-15)34-24(25,26)27/h2-3,6-11,16-17,21H,4-5,12-13H2,1H3,(H,28,30).

What are the key properties of N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 516.62 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 126674211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).