5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C91H76F8N26S5 — CID 158903973

About 5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine

5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 158903973) has the molecular formula C91H76F8N26S5 and a molecular weight of 1846.11 g/mol. Its IUPAC name is 5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
• PubChem CID: 158903973
• Molecular Formula: C91H76F8N26S5
• Molecular Weight: 1846.11 g/mol
• Exact Mass: 1844.52
• IUPAC Name: 5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
• SMILES: CC(C)Nc1ncc(-c2cc(-c3cc(F)ccc3F)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3ccc(F)c(F)c3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3F)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3cccc(F)c3F)c3nncn3c2)s1.[C-]#[N+]c1ccccc1-c1cc(-c2cnc(NC(C)C)s2)cn2cnnc12
• InChI: InChI=1S/C19H16N6S.4C18H15F2N5S/c1-12(2)23-19-21-9-17(26-19)13-8-15(18-24-22-11-25(18)10-13)14-6-4-5-7-16(14)20-3;1-10(2)23-18-21-7-16(26-18)11-5-14(17-24-22-9-25(17)8-11)13-6-12(19)3-4-15(13)20;1-10(2)23-18-21-7-16(26-18)11-5-14(17-24-22-9-25(17)8-11)13-4-3-12(19)6-15(13)20;1-10(2)23-18-21-7-16(26-18)12-5-13(17-24-22-9-25(17)8-12)11-3-4-14(19)15(20)6-11;1-10(2)23-18-21-7-15(26-18)11-6-13(17-24-22-9-25(17)8-11)12-4-3-5-14(19)16(12)20/h4-12H,1-2H3,(H,21,23);4*3-10H,1-2H3,(H,21,23)
• InChIKey: JFUOKVCAAFGSGG-UHFFFAOYSA-N
• XLogP: 23.36
• TPSA: 279.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1846.11
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The IUPAC name of 5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 158903973) is 5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

What is the SMILES notation for 5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The canonical SMILES for 5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1ncc(-c2cc(-c3cc(F)ccc3F)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3ccc(F)c(F)c3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3F)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3cccc(F)c3F)c3nncn3c2)s1.[C-]#[N+]c1ccccc1-c1cc(-c2cnc(NC(C)C)s2)cn2cnnc12.

What is the InChIKey of 5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The InChIKey is JFUOKVCAAFGSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6S.4C18H15F2N5S/c1-12(2)23-19-21-9-17(26-19)13-8-15(18-24-22-11-25(18)10-13)14-6-4-5-7-16(14)20-3;1-10(2)23-18-21-7-16(26-18)11-5-14(17-24-22-9-25(17)8-11)13-6-12(19)3-4-15(13)20;1-10(2)23-18-21-7-16(26-18)11-5-14(17-24-22-9-25(17)8-11)13-4-3-12(19)6-15(13)20;1-10(2)23-18-21-7-16(26-18)12-5-13(17-24-22-9-25(17)8-12)11-3-4-14(19)15(20)6-11;1-10(2)23-18-21-7-15(26-18)11-6-13(17-24-22-9-25(17)8-11)12-4-3-5-14(19)16(12)20/h4-12H,1-2H3,(H,21,23);4*3-10H,1-2H3,(H,21,23).

What are the key properties of 5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 1846.11 g/mol, XLogP of 23.36, 20 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(2-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 158903973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).