N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

C73H45F11N18O6S6 — CID 163473967

About N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide (PubChem CID 163473967) has the molecular formula C73H45F11N18O6S6 and a molecular weight of 1671.66 g/mol. Its IUPAC name is N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

• Compound Name: N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
• PubChem CID: 163473967
• Molecular Formula: C73H45F11N18O6S6
• Molecular Weight: 1671.66 g/mol
• Exact Mass: 1670.19
• IUPAC Name: N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
• SMILES: Cc1ccc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)s2)nn1.Nc1nccc(-c2sc(-c3ccc(F)cc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1.Nc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
• InChI: InChI=1S/C25H15F4N5O2S2.C24H14F4N6O2S2.C24H16F3N7O2S2/c26-14-9-7-13(8-10-14)24-33-21(22(37-24)19-11-12-31-25(30)32-19)15-3-1-6-18(20(15)29)34-38(35,36)23-16(27)4-2-5-17(23)28;25-12-7-8-18(31-11-12)23-33-20(21(37-23)17-9-10-30-24(29)32-17)13-3-1-6-16(19(13)28)34-38(35,36)22-14(26)4-2-5-15(22)27;1-12-8-9-18(33-32-12)23-31-20(21(37-23)17-10-11-29-24(28)30-17)13-4-2-7-16(19(13)27)34-38(35,36)22-14(25)5-3-6-15(22)26/h1-12,34H,(H2,30,31,32);1-11,34H,(H2,29,30,32);2-11,34H,1H3,(H2,28,29,30)
• InChIKey: BYWAIRYDPRYPGG-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 371.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1671.66
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?

The IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide (CID 163473967) is N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide.

What is the SMILES notation for N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?

The canonical SMILES for N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide is Cc1ccc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)s2)nn1.Nc1nccc(-c2sc(-c3ccc(F)cc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1.Nc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1.

What is the InChIKey of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?

The InChIKey is BYWAIRYDPRYPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F4N5O2S2.C24H14F4N6O2S2.C24H16F3N7O2S2/c26-14-9-7-13(8-10-14)24-33-21(22(37-24)19-11-12-31-25(30)32-19)15-3-1-6-18(20(15)29)34-38(35,36)23-16(27)4-2-5-17(23)28;25-12-7-8-18(31-11-12)23-33-20(21(37-23)17-9-10-30-24(29)32-17)13-3-1-6-16(19(13)28)34-38(35,36)22-14(26)4-2-5-15(22)27;1-12-8-9-18(33-32-12)23-31-20(21(37-23)17-10-11-29-24(28)30-17)13-4-2-7-16(19(13)27)34-38(35,36)22-14(25)5-3-6-15(22)26/h1-12,34H,(H2,30,31,32);1-11,34H,(H2,29,30,32);2-11,34H,1H3,(H2,28,29,30).

What are the key properties of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?

N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 1671.66 g/mol, XLogP of 15.97, 18 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 163473967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).