4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine

C23H17F3N6OS — CID 70689058

About 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine

4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 70689058) has the molecular formula C23H17F3N6OS and a molecular weight of 482.49 g/mol. Its IUPAC name is 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine
• PubChem CID: 70689058
• Molecular Formula: C23H17F3N6OS
• Molecular Weight: 482.49 g/mol
• Exact Mass: 482.11
• IUPAC Name: 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine
• SMILES: Cc1cccc(-c2nc(NCc3cccc(OC(F)(F)F)c3)sc2-c2ccc3ncnn3c2)n1
• InChI: InChI=1S/C23H17F3N6OS/c1-14-4-2-7-18(30-14)20-21(16-8-9-19-28-13-29-32(19)12-16)34-22(31-20)27-11-15-5-3-6-17(10-15)33-23(24,25)26/h2-10,12-13H,11H2,1H3,(H,27,31)
• InChIKey: KXQAYIADFSNSAJ-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 77.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.49
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine?

The IUPAC name of 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine (CID 70689058) is 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine?

The canonical SMILES for 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine is Cc1cccc(-c2nc(NCc3cccc(OC(F)(F)F)c3)sc2-c2ccc3ncnn3c2)n1.

What is the InChIKey of 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine?

The InChIKey is KXQAYIADFSNSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6OS/c1-14-4-2-7-18(30-14)20-21(16-8-9-19-28-13-29-32(19)12-16)34-22(31-20)27-11-15-5-3-6-17(10-15)33-23(24,25)26/h2-10,12-13H,11H2,1H3,(H,27,31).

What are the key properties of 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine?

4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 482.49 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 70689058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).