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

C81H53BrF7N25S7 — CID 158566496

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

2-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 158566496) has the molecular formula C81H53BrF7N25S7 and a molecular weight of 1813.85 g/mol. Its IUPAC name is 2-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
• PubChem CID: 158566496
• Molecular Formula: C81H53BrF7N25S7
• Molecular Weight: 1813.85 g/mol
• Exact Mass: 1811.20
• IUPAC Name: 2-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
• SMILES: Fc1ccc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)nc1.Fc1ccc(-c2nc(-c3nccs3)nn2Cc2ccccc2F)nc1.Fc1ccccc1Cn1nc(-c2cscn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1cc(Br)ccn1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1cscn1
• InChI: InChI=1S/C17H11BrFN5S.2C17H11F2N5S.2C15H10FN5S2/c18-12-5-6-20-14(9-12)16-22-15(17-21-7-8-25-17)23-24(16)10-11-3-1-2-4-13(11)19;18-12-5-6-14(21-9-12)16-22-15(17-20-7-8-25-17)23-24(16)10-11-3-1-2-4-13(11)19;18-12-5-6-14(21-9-12)15-22-16(17-20-7-8-25-17)24(23-15)10-11-3-1-2-4-13(11)19;16-11-4-2-1-3-10(11)7-21-14(12-8-22-9-18-12)19-13(20-21)15-17-5-6-23-15;16-11-4-2-1-3-10(11)7-21-14(15-17-5-6-23-15)19-13(20-21)12-8-22-9-18-12/h3*1-9H,10H2;2*1-6,8-9H,7H2
• InChIKey: HRNTUHUGUIIKRD-UHFFFAOYSA-N
• XLogP: 19.42
• TPSA: 282.45 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1813.85
LogP ≤ 5	19.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of 2-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole (CID 158566496) is 2-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole.

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

The canonical SMILES for 2-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole is Fc1ccc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)nc1.Fc1ccc(-c2nc(-c3nccs3)nn2Cc2ccccc2F)nc1.Fc1ccccc1Cn1nc(-c2cscn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1cc(Br)ccn1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1cscn1.

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

The InChIKey is HRNTUHUGUIIKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN5S.2C17H11F2N5S.2C15H10FN5S2/c18-12-5-6-20-14(9-12)16-22-15(17-21-7-8-25-17)23-24(16)10-11-3-1-2-4-13(11)19;18-12-5-6-14(21-9-12)16-22-15(17-20-7-8-25-17)23-24(16)10-11-3-1-2-4-13(11)19;18-12-5-6-14(21-9-12)15-22-16(17-20-7-8-25-17)24(23-15)10-11-3-1-2-4-13(11)19;16-11-4-2-1-3-10(11)7-21-14(12-8-22-9-18-12)19-13(20-21)15-17-5-6-23-15;16-11-4-2-1-3-10(11)7-21-14(15-17-5-6-23-15)19-13(20-21)12-8-22-9-18-12/h3*1-9H,10H2;2*1-6,8-9H,7H2.

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

2-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 1813.85 g/mol, XLogP of 19.42, 20 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 158566496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).