2-[5-(6-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrazol-1-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole

C67H46Br2F4N22S3 — CID 160822338

About 2-[5-(6-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrazol-1-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole

2-[5-(6-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrazol-1-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 160822338) has the molecular formula C67H46Br2F4N22S3 and a molecular weight of 1491.26 g/mol. Its IUPAC name is 2-[5-(6-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrazol-1-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[5-(6-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrazol-1-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
• PubChem CID: 160822338
• Molecular Formula: C67H46Br2F4N22S3
• Molecular Weight: 1491.26 g/mol
• Exact Mass: 1488.17
• IUPAC Name: 2-[5-(6-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrazol-1-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
• SMILES: Fc1ccccc1Cn1nc(-c2cccc(Br)n2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2cscn2)nc1-c1ncccn1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1cccc(Br)n1.Fc1ccccc1Cn1nc(-n2cccn2)nc1-c1ccccn1
• InChI: InChI=1S/2C17H11BrFN5S.C17H13FN6.C16H11FN6S/c18-14-7-3-6-13(21-14)16-22-15(17-20-8-9-25-17)23-24(16)10-11-4-1-2-5-12(11)19;18-14-7-3-6-13(21-14)15-22-16(17-20-8-9-25-17)24(23-15)10-11-4-1-2-5-12(11)19;18-14-7-2-1-6-13(14)12-24-16(15-8-3-4-9-19-15)21-17(22-24)23-11-5-10-20-23;17-12-5-2-1-4-11(12)8-23-16(15-18-6-3-7-19-15)21-14(22-23)13-9-24-10-20-13/h2*1-9H,10H2;1-11H,12H2;1-7,9-10H,8H2
• InChIKey: SFSBKDYZYYFBMG-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 243.78 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1491.26
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

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)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrazol-1-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole?

The IUPAC name of 2-[5-(6-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrazol-1-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole (CID 160822338) is 2-[5-(6-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrazol-1-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole.

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

The canonical SMILES for 2-[5-(6-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrazol-1-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole is Fc1ccccc1Cn1nc(-c2cccc(Br)n2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2cscn2)nc1-c1ncccn1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1cccc(Br)n1.Fc1ccccc1Cn1nc(-n2cccn2)nc1-c1ccccn1.

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

The InChIKey is SFSBKDYZYYFBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H11BrFN5S.C17H13FN6.C16H11FN6S/c18-14-7-3-6-13(21-14)16-22-15(17-20-8-9-25-17)23-24(16)10-11-4-1-2-5-12(11)19;18-14-7-3-6-13(21-14)15-22-16(17-20-8-9-25-17)24(23-15)10-11-4-1-2-5-12(11)19;18-14-7-2-1-6-13(14)12-24-16(15-8-3-4-9-19-15)21-17(22-24)23-11-5-10-20-23;17-12-5-2-1-4-11(12)8-23-16(15-18-6-3-7-19-15)21-14(22-23)13-9-24-10-20-13/h2*1-9H,10H2;1-11H,12H2;1-7,9-10H,8H2.

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

2-[5-(6-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrazol-1-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 1491.26 g/mol, XLogP of 14.59, 16 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(6-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrazol-1-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 160822338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).