N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide

C82H74Cl4F5N19O6S6 — CID 163799492

About N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide

N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide (PubChem CID 163799492) has the molecular formula C82H74Cl4F5N19O6S6 and a molecular weight of 1850.82 g/mol. Its IUPAC name is N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide
• PubChem CID: 163799492
• Molecular Formula: C82H74Cl4F5N19O6S6
• Molecular Weight: 1850.82 g/mol
• Exact Mass: 1847.31
• IUPAC Name: N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide
• SMILES: CNc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(NS(=O)(=O)c3c(Cl)ccc(C)c3Cl)c2F)n1.Cc1ccc(-c2nc(-c3cccc(NS(=O)(=O)c4c(Cl)ccc(C)c4Cl)c3F)c(-c3ccnc(NC4CC4)n3)s2)nn1.Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(N4CCCCC4)sc3-c3ccnc(NC4CC4)n3)c2F)c1F
• InChI: InChI=1S/C28H22Cl2FN7O2S2.C28H27F3N6O2S2.C26H25Cl2FN6O2S2/c1-14-6-10-18(29)26(22(14)30)42(39,40)38-19-5-3-4-17(23(19)31)24-25(20-12-13-32-28(34-20)33-16-8-9-16)41-27(35-24)21-11-7-15(2)36-37-21;1-16-8-11-19(29)26(22(16)30)41(38,39)36-20-7-5-6-18(23(20)31)24-25(40-28(35-24)37-14-3-2-4-15-37)21-12-13-32-27(34-21)33-17-9-10-17;1-15-9-10-17(27)24(20(15)28)39(36,37)34-18-8-6-7-16(21(18)29)22-23(19-11-12-31-25(30-2)32-19)38-26(33-22)35-13-4-3-5-14-35/h3-7,10-13,16,38H,8-9H2,1-2H3,(H,32,33,34);5-8,11-13,17,36H,2-4,9-10,14-15H2,1H3,(H,32,33,34);6-12,34H,3-5,13-14H2,1-2H3,(H,30,31,32)
• InChIKey: NDTMTHCLKRUBNC-UHFFFAOYSA-N
• XLogP: 20.37
• TPSA: 322.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1850.82
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide?

The IUPAC name of N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide (CID 163799492) is N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide.

What is the SMILES notation for N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide?

The canonical SMILES for N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide is CNc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(NS(=O)(=O)c3c(Cl)ccc(C)c3Cl)c2F)n1.Cc1ccc(-c2nc(-c3cccc(NS(=O)(=O)c4c(Cl)ccc(C)c4Cl)c3F)c(-c3ccnc(NC4CC4)n3)s2)nn1.Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(N4CCCCC4)sc3-c3ccnc(NC4CC4)n3)c2F)c1F.

What is the InChIKey of N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide?

The InChIKey is NDTMTHCLKRUBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2FN7O2S2.C28H27F3N6O2S2.C26H25Cl2FN6O2S2/c1-14-6-10-18(29)26(22(14)30)42(39,40)38-19-5-3-4-17(23(19)31)24-25(20-12-13-32-28(34-20)33-16-8-9-16)41-27(35-24)21-11-7-15(2)36-37-21;1-16-8-11-19(29)26(22(16)30)41(38,39)36-20-7-5-6-18(23(20)31)24-25(40-28(35-24)37-14-3-2-4-15-37)21-12-13-32-27(34-21)33-17-9-10-17;1-15-9-10-17(27)24(20(15)28)39(36,37)34-18-8-6-7-16(21(18)29)22-23(19-11-12-31-25(30-2)32-19)38-26(33-22)35-13-4-3-5-14-35/h3-7,10-13,16,38H,8-9H2,1-2H3,(H,32,33,34);5-8,11-13,17,36H,2-4,9-10,14-15H2,1H3,(H,32,33,34);6-12,34H,3-5,13-14H2,1-2H3,(H,30,31,32).

What are the key properties of N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide?

N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide has a molecular weight of 1850.82 g/mol, XLogP of 20.37, 23 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-dichloro-N-[3-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(6-methylpyridazin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3-methylbenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 163799492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).