N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide

C78H54F12N18O6S6 — CID 163750385

IUPACN-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide
SMILESCCNc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.CNc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(F)cn4)sc3-c3ccnc(N)n3)c2F)c1F
InChIInChI=1S/C27H20F4N6O2S2.C26H18F4N6O2S2.C25H16F4N6O2S2/c1-3-32-27-33-12-11-19(35-27)24-23(36-26(40-24)20-10-8-15(28)13-34-20)16-5-4-6-18(22(16)31)37-41(38,39)25-17(29)9-7-14(2)21(25)30;1-13-6-8-16(28)24(20(13)29)40(37,38)36-17-5-3-4-15(21(17)30)22-23(18-10-11-32-26(31-2)34-18)39-25(35-22)19-9-7-14(27)12-33-19;1-12-5-7-15(27)23(19(12)28)39(36,37)35-16-4-2-3-14(20(16)29)21-22(17-9-10-31-25(30)33-17)38-24(34-21)18-8-6-13(26)11-32-18/h4-13,37H,3H2,1-2H3,(H,32,33,35);3-12,36H,1-2H3,(H,31,32,34);2-11,35H,1H3,(H2,30,31,33)
InChIKeyLPMDZLZYUOKPCR-UHFFFAOYSA-N
MW1759.79 g/mol
LogP18.04
Rot. Bonds21

About N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide

N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide (PubChem CID 163750385) has the molecular formula C78H54F12N18O6S6 and a molecular weight of 1759.79 g/mol. Its IUPAC name is N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide
PubChem CID163750385
Molecular FormulaC78H54F12N18O6S6
Molecular Weight1759.79 g/mol
Exact Mass1758.26
IUPAC NameN-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide
SMILESCCNc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.CNc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(F)cn4)sc3-c3ccnc(N)n3)c2F)c1F
InChIInChI=1S/C27H20F4N6O2S2.C26H18F4N6O2S2.C25H16F4N6O2S2/c1-3-32-27-33-12-11-19(35-27)24-23(36-26(40-24)20-10-8-15(28)13-34-20)16-5-4-6-18(22(16)31)37-41(38,39)25-17(29)9-7-14(2)21(25)30;1-13-6-8-16(28)24(20(13)29)40(37,38)36-17-5-3-4-15(21(17)30)22-23(18-10-11-32-26(31-2)34-18)39-25(35-22)19-9-7-14(27)12-33-19;1-12-5-7-15(27)23(19(12)28)39(36,37)35-16-4-2-3-14(20(16)29)21-22(17-9-10-31-25(30)33-17)38-24(34-21)18-8-6-13(26)11-32-18/h4-13,37H,3H2,1-2H3,(H,32,33,35);3-12,36H,1-2H3,(H,31,32,34);2-11,35H,1H3,(H2,30,31,33)
InChIKeyLPMDZLZYUOKPCR-UHFFFAOYSA-N
XLogP18.04
TPSA343.27 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001759.79
LogP ≤ 518.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[5-(2-aminopyrimidin-4-yl)-2-piperazin-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 156441728
B-Raf IN 6
CID 156441734
N-[3-[5-(2-aminopyrimidin-4-yl)-2-piperidin-3-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 156441743
N-[3-[5-(2-aminopyrimidin-4-yl)-2-pyrrolidin-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 156442069
N-[3-[5-[2-[[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzenesulfonamide
CID 56670003
N-{3-[5-(2-amino-4-pyrimidinyl)-2-(4-piperidinyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
CID 57989640
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[2-(1-ethylsulfonylpiperidin-4-yl)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 168867727
4-[2-(1-ethylsulfonylpiperidin-4-yl)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 168867735
4-[2-(1-ethylsulfonylpiperidin-4-yl)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 168867739
2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 147115427
N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide
CID 147121705
2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-pyrazin-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 147261935

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide (CID 163750385) is N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide is CCNc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.CNc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(F)cn4)sc3-c3ccnc(N)n3)c2F)c1F.
What is the InChIKey of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide?
The InChIKey is LPMDZLZYUOKPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F4N6O2S2.C26H18F4N6O2S2.C25H16F4N6O2S2/c1-3-32-27-33-12-11-19(35-27)24-23(36-26(40-24)20-10-8-15(28)13-34-20)16-5-4-6-18(22(16)31)37-41(38,39)25-17(29)9-7-14(2)21(25)30;1-13-6-8-16(28)24(20(13)29)40(37,38)36-17-5-3-4-15(21(17)30)22-23(18-10-11-32-26(31-2)34-18)39-25(35-22)19-9-7-14(27)12-33-19;1-12-5-7-15(27)23(19(12)28)39(36,37)35-16-4-2-3-14(20(16)29)21-22(17-9-10-31-25(30)33-17)38-24(34-21)18-8-6-13(26)11-32-18/h4-13,37H,3H2,1-2H3,(H,32,33,35);3-12,36H,1-2H3,(H,31,32,34);2-11,35H,1H3,(H2,30,31,33).
What are the key properties of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide?
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide has a molecular weight of 1759.79 g/mol, XLogP of 18.04, 21 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-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 163750385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).