2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine

C34H24BrF2N11S2 — CID 160504920

About 2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine

2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 160504920) has the molecular formula C34H24BrF2N11S2 and a molecular weight of 768.68 g/mol. Its IUPAC name is 2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine
• PubChem CID: 160504920
• Molecular Formula: C34H24BrF2N11S2
• Molecular Weight: 768.68 g/mol
• Exact Mass: 767.08
• IUPAC Name: 2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine
• SMILES: Fc1ccccc1Cn1nc(-c2cccc(Br)n2)nc1-c1nccs1.Nc1cccc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)n1
• InChI: InChI=1S/C17H11BrFN5S.C17H13FN6S/c18-14-7-3-6-13(21-14)15-22-16(17-20-8-9-25-17)24(23-15)10-11-4-1-2-5-12(11)19;18-12-5-2-1-4-11(12)10-24-16(17-20-8-9-25-17)22-15(23-24)13-6-3-7-14(19)21-13/h1-9H,10H2;1-9H,10H2,(H2,19,21)
• InChIKey: QSGRYQBJRCUISF-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 139.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	768.68
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine?

The IUPAC name of 2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine (CID 160504920) is 2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine.

What is the SMILES notation for 2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine?

The canonical SMILES for 2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine is Fc1ccccc1Cn1nc(-c2cccc(Br)n2)nc1-c1nccs1.Nc1cccc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)n1.

What is the InChIKey of 2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine?

The InChIKey is QSGRYQBJRCUISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN5S.C17H13FN6S/c18-14-7-3-6-13(21-14)15-22-16(17-20-8-9-25-17)24(23-15)10-11-4-1-2-5-12(11)19;18-12-5-2-1-4-11(12)10-24-16(17-20-8-9-25-17)22-15(23-24)13-6-3-7-14(19)21-13/h1-9H,10H2;1-9H,10H2,(H2,19,21).

What are the key properties of 2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine?

2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 768.68 g/mol, XLogP of 7.65, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 160504920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).