2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

C40H23BrF11N13OS3 — CID 157282954

About 2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 157282954) has the molecular formula C40H23BrF11N13OS3 and a molecular weight of 1086.80 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
• PubChem CID: 157282954
• Molecular Formula: C40H23BrF11N13OS3
• Molecular Weight: 1086.80 g/mol
• Exact Mass: 1085.03
• IUPAC Name: 2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
• SMILES: FC(F)(F)c1csc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.FC(F)(F)c1csc(Br)n1.Fc1cnccc1Nc1nc(-c2nc(C(F)(F)F)cs2)nn2cccc12.Nc1ccncc1F
• InChI: InChI=1S/C16H9F3N4OS.C15H8F4N6S.C5H5FN2.C4HBrF3NS/c17-16(18,19)12-9-25-15(20-12)13-21-14(11-7-4-8-23(11)22-13)24-10-5-2-1-3-6-10;16-8-6-20-4-3-9(8)21-12-10-2-1-5-25(10)24-13(23-12)14-22-11(7-26-14)15(17,18)19;6-4-3-8-2-1-5(4)7;5-3-9-2(1-10-3)4(6,7)8/h1-9H;1-7H,(H,20,21,23,24);1-3H,(H2,7,8);1H
• InChIKey: AZWQTSNUYFBGCN-UHFFFAOYSA-N
• XLogP: 12.54
• TPSA: 172.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1086.80
LogP ≤ 5	12.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?

The IUPAC name of 2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 157282954) is 2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.

What is the SMILES notation for 2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?

The canonical SMILES for 2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.FC(F)(F)c1csc(Br)n1.Fc1cnccc1Nc1nc(-c2nc(C(F)(F)F)cs2)nn2cccc12.Nc1ccncc1F.

What is the InChIKey of 2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?

The InChIKey is AZWQTSNUYFBGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4OS.C15H8F4N6S.C5H5FN2.C4HBrF3NS/c17-16(18,19)12-9-25-15(20-12)13-21-14(11-7-4-8-23(11)22-13)24-10-5-2-1-3-6-10;16-8-6-20-4-3-9(8)21-12-10-2-1-5-25(10)24-13(23-12)14-22-11(7-26-14)15(17,18)19;6-4-3-8-2-1-5(4)7;5-3-9-2(1-10-3)4(6,7)8/h1-9H;1-7H,(H,20,21,23,24);1-3H,(H2,7,8);1H.

What are the key properties of 2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?

2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 1086.80 g/mol, XLogP of 12.54, 6 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-(trifluoromethyl)-1,3-thiazole;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 157282954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).