2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide

C153H160F3N27O10S10 — CID 159908196

IUPAC2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide
SMILESCC.CC.CC.CC.CC.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3ccc(F)c(NS(=O)(=O)c4c(C)cccc4C)c3)n2)cc1.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3cccc(NS(=O)(=O)c4c(C)cccc4C)c3)n2)cc1.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3cccc(NS(=O)(=O)c4c(C)cccc4C)c3)n2)cn1.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3cccc(NS(=O)(=O)c4c(C)cccc4C)c3F)n2)cc1.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3cccc(NS(=O)(=O)c4c(C)cccc4C)c3F)n2)cn1
InChIInChI=1S/2C29H26FN5O2S2.C29H27N5O2S2.C28H25FN6O2S2.C28H26N6O2S2.5C2H6/c1-17-11-13-21(14-12-17)33-29-31-16-15-24(34-29)27-26(32-20(4)38-27)22-9-6-10-23(25(22)30)35-39(36,37)28-18(2)7-5-8-19(28)3;1-17-8-11-22(12-9-17)33-29-31-15-14-24(34-29)27-26(32-20(4)38-27)21-10-13-23(30)25(16-21)35-39(36,37)28-18(2)6-5-7-19(28)3;1-18-11-13-23(14-12-18)32-29-30-16-15-25(33-29)27-26(31-21(4)37-27)22-9-6-10-24(17-22)34-38(35,36)28-19(2)7-5-8-20(28)3;1-16-7-5-8-17(2)27(16)39(36,37)35-22-10-6-9-21(24(22)29)25-26(38-19(4)32-25)23-13-14-30-28(34-23)33-20-12-11-18(3)31-15-20;1-17-7-5-8-18(2)27(17)38(35,36)34-22-10-6-9-21(15-22)25-26(37-20(4)31-25)24-13-14-29-28(33-24)32-23-12-11-19(3)30-16-23;5*1-2/h2*5-16,35H,1-4H3,(H,31,33,34);5-17,34H,1-4H3,(H,30,32,33);5-15,35H,1-4H3,(H,30,33,34);5-16,34H,1-4H3,(H,29,32,33);5*1-2H3
InChIKeyNWVNJZQPSHRIOQ-UHFFFAOYSA-N
MW2914.81 g/mol
LogP39.56
Rot. Bonds35

About 2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide

2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide (PubChem CID 159908196) has the molecular formula C153H160F3N27O10S10 and a molecular weight of 2914.81 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide
PubChem CID159908196
Molecular FormulaC153H160F3N27O10S10
Molecular Weight2914.81 g/mol
Exact Mass2912.00
IUPAC Name2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide
SMILESCC.CC.CC.CC.CC.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3ccc(F)c(NS(=O)(=O)c4c(C)cccc4C)c3)n2)cc1.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3cccc(NS(=O)(=O)c4c(C)cccc4C)c3)n2)cc1.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3cccc(NS(=O)(=O)c4c(C)cccc4C)c3)n2)cn1.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3cccc(NS(=O)(=O)c4c(C)cccc4C)c3F)n2)cc1.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3cccc(NS(=O)(=O)c4c(C)cccc4C)c3F)n2)cn1
InChIInChI=1S/2C29H26FN5O2S2.C29H27N5O2S2.C28H25FN6O2S2.C28H26N6O2S2.5C2H6/c1-17-11-13-21(14-12-17)33-29-31-16-15-24(34-29)27-26(32-20(4)38-27)22-9-6-10-23(25(22)30)35-39(36,37)28-18(2)7-5-8-19(28)3;1-17-8-11-22(12-9-17)33-29-31-15-14-24(34-29)27-26(32-20(4)38-27)21-10-13-23(30)25(16-21)35-39(36,37)28-18(2)6-5-7-19(28)3;1-18-11-13-23(14-12-18)32-29-30-16-15-25(33-29)27-26(31-21(4)37-27)22-9-6-10-24(17-22)34-38(35,36)28-19(2)7-5-8-20(28)3;1-16-7-5-8-17(2)27(16)39(36,37)35-22-10-6-9-21(24(22)29)25-26(38-19(4)32-25)23-13-14-30-28(34-23)33-20-12-11-18(3)31-15-20;1-17-7-5-8-18(2)27(17)38(35,36)34-22-10-6-9-21(15-22)25-26(37-20(4)31-25)24-13-14-29-28(33-24)32-23-12-11-19(3)30-16-23;5*1-2/h2*5-16,35H,1-4H3,(H,31,33,34);5-17,34H,1-4H3,(H,30,32,33);5-15,35H,1-4H3,(H,30,33,34);5-16,34H,1-4H3,(H,29,32,33);5*1-2H3
InChIKeyNWVNJZQPSHRIOQ-UHFFFAOYSA-N
XLogP39.56
TPSA510.13 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds35
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002914.81
LogP ≤ 539.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze 2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide with MolForge

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Related Compounds

N-[3-[2-tert-butyl-5-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
CID 147639248
N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide
CID 58575854
N-[2-fluoro-5-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide
CID 58575861
N-[5-[5-[2-[(5,6-dimethyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dimethylbenzenesulfonamide
CID 58575948
N-[3-[5-[2-amino-1-[5-[5-(2-aminopyrimidin-4-yl)-4-[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-1,3-thiazol-2-yl]piperidin-2-yl]pyrimidin-1-ium-4-yl]-2-(1-cyclopropylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 156748832
bis(1-[3-(2-amino-4-pyridin-4-yl-1,3-thiazol-5-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea);1-[5-(2-amino-4-pyridin-4-yl-1,3-thiazol-5-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;2,5-difluoro-N-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]benzenesulfonamide;2,6-difluoro-N-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]benzenesulfonamide;1-[3-[2-(3-piperidin-1-ylpropyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 159790740
1-[3-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 161944297
N-[3-[5-(2-aminopyrimidin-4-yl)-2-[6-(azetidin-1-yl)-2-pyridinyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 163498130
N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide
CID 163792371
N-{5-[5-(2-{[6-(4-cyano-1-piperidinyl)-3-pyridinyl]amino}-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide N-{5-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
CID 86660679
N-[5-[5-(2-aminopyrimidin-4-yl)-2-(1,1,1-trideuterio-2-methylpropan-2-yl)-1,3-thiazol-4-yl]-2,3,4-trideuterio-6-fluorophenyl]-3,4,5-trideuterio-2,6-difluorobenzenesulfonamide;N-[5-[5-(2-chloro-5,6-dideuteriopyrimidin-4-yl)-2-(1-deuterio-2-methylpropan-2-yl)-1,3-thiazol-4-yl]-2,3,4-trideuterio-6-fluorophenyl]-3,4,5-trideuterio-2,6-difluorobenzenesulfonamide
CID 89419102
5-[[2,5-difluoro-4-[[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[(1R)-1-[(2R)-2-phenylpiperidin-1-yl]ethyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S)-2-pyridazin-4-ylpiperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;4-[(2R)-1-[[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylmethylsulfonyl)phenyl]methyl]piperidin-2-yl]pyridin-2-amine;4-[(2S)-1-[[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylmethylsulfonyl)phenyl]methyl]piperidin-2-yl]pyridin-2-amine
CID 157144998

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide (CID 159908196) is 2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide is CC.CC.CC.CC.CC.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3ccc(F)c(NS(=O)(=O)c4c(C)cccc4C)c3)n2)cc1.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3cccc(NS(=O)(=O)c4c(C)cccc4C)c3)n2)cc1.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3cccc(NS(=O)(=O)c4c(C)cccc4C)c3)n2)cn1.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3cccc(NS(=O)(=O)c4c(C)cccc4C)c3F)n2)cc1.Cc1ccc(Nc2nccc(-c3sc(C)nc3-c3cccc(NS(=O)(=O)c4c(C)cccc4C)c3F)n2)cn1.
What is the InChIKey of 2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide?
The InChIKey is NWVNJZQPSHRIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H26FN5O2S2.C29H27N5O2S2.C28H25FN6O2S2.C28H26N6O2S2.5C2H6/c1-17-11-13-21(14-12-17)33-29-31-16-15-24(34-29)27-26(32-20(4)38-27)22-9-6-10-23(25(22)30)35-39(36,37)28-18(2)7-5-8-19(28)3;1-17-8-11-22(12-9-17)33-29-31-15-14-24(34-29)27-26(32-20(4)38-27)21-10-13-23(30)25(16-21)35-39(36,37)28-18(2)6-5-7-19(28)3;1-18-11-13-23(14-12-18)32-29-30-16-15-25(33-29)27-26(31-21(4)37-27)22-9-6-10-24(17-22)34-38(35,36)28-19(2)7-5-8-20(28)3;1-16-7-5-8-17(2)27(16)39(36,37)35-22-10-6-9-21(24(22)29)25-26(38-19(4)32-25)23-13-14-30-28(34-23)33-20-12-11-18(3)31-15-20;1-17-7-5-8-18(2)27(17)38(35,36)34-22-10-6-9-21(15-22)25-26(37-20(4)31-25)24-13-14-29-28(33-24)32-23-12-11-19(3)30-16-23;5*1-2/h2*5-16,35H,1-4H3,(H,31,33,34);5-17,34H,1-4H3,(H,30,32,33);5-15,35H,1-4H3,(H,30,33,34);5-16,34H,1-4H3,(H,29,32,33);5*1-2H3.
What are the key properties of 2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide?
2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide has a molecular weight of 2914.81 g/mol, XLogP of 39.56, 35 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-dimethyl-N-[3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;ethane;N-[2-fluoro-3-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-5-[2-methyl-5-[2-(4-methylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide;N-[2-fluoro-3-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 159908196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).