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

C78H56F11N19O6S6 — CID 163695143

IUPAC2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide
SMILESCNc1nccc(-c2sc(-c3cccc(F)c3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.CNc1nccc(-c2sc(-c3cnc(C)nc3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.CNc1nccc(-c2sc(-c3cnc(F)nc3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
InChIInChI=1S/C27H19F4N5O2S2.C26H20F3N7O2S2.C25H17F4N7O2S2/c1-14-9-10-18(29)25(21(14)30)40(37,38)36-19-8-4-7-17(22(19)31)23-24(20-11-12-33-27(32-2)34-20)39-26(35-23)15-5-3-6-16(28)13-15;1-13-7-8-17(27)24(20(13)28)40(37,38)36-18-6-4-5-16(21(18)29)22-23(19-9-10-31-26(30-3)34-19)39-25(35-22)15-11-32-14(2)33-12-15;1-12-6-7-15(26)22(18(12)27)40(37,38)36-16-5-3-4-14(19(16)28)20-21(17-8-9-31-25(30-2)34-17)39-23(35-20)13-10-32-24(29)33-11-13/h3-13,36H,1-2H3,(H,32,33,34);4-12,36H,1-3H3,(H,30,31,34);3-11,36H,1-2H3,(H,30,31,34)
InChIKeyJWIJRBMYUCOXRA-UHFFFAOYSA-N
MW1756.81 g/mol
LogP17.67
Rot. Bonds21

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

2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide (PubChem CID 163695143) has the molecular formula C78H56F11N19O6S6 and a molecular weight of 1756.81 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide
PubChem CID163695143
Molecular FormulaC78H56F11N19O6S6
Molecular Weight1756.81 g/mol
Exact Mass1755.28
IUPAC Name2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide
SMILESCNc1nccc(-c2sc(-c3cccc(F)c3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.CNc1nccc(-c2sc(-c3cnc(C)nc3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.CNc1nccc(-c2sc(-c3cnc(F)nc3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
InChIInChI=1S/C27H19F4N5O2S2.C26H20F3N7O2S2.C25H17F4N7O2S2/c1-14-9-10-18(29)25(21(14)30)40(37,38)36-19-8-4-7-17(22(19)31)23-24(20-11-12-33-27(32-2)34-20)39-26(35-23)15-5-3-6-16(28)13-15;1-13-7-8-17(27)24(20(13)28)40(37,38)36-18-6-4-5-16(21(18)29)22-23(19-9-10-31-26(30-3)34-19)39-25(35-22)15-11-32-14(2)33-12-15;1-12-6-7-15(26)22(18(12)27)40(37,38)36-16-5-3-4-14(19(16)28)20-21(17-8-9-31-25(30-2)34-17)39-23(35-20)13-10-32-24(29)33-11-13/h3-13,36H,1-2H3,(H,32,33,34);4-12,36H,1-3H3,(H,30,31,34);3-11,36H,1-2H3,(H,30,31,34)
InChIKeyJWIJRBMYUCOXRA-UHFFFAOYSA-N
XLogP17.67
TPSA342.17 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001756.81
LogP ≤ 517.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

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

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

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Related Compounds

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-amino-4-pyrimidinyl)-2-(4-piperidinyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
CID 57989640
N-[3-[2-tert-butyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
CID 135271668
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-[2-(4-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide
CID 147443293
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
2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-pyrimidin-5-yl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide
CID 148354201
N-[3-[5-[2-(2-aminoethylamino)pyrimidin-4-yl]-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
CID 148640195
2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-pyrimidin-5-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 148707723
2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-3-pyridinyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 148791621
2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide
CID 148885978

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide (CID 163695143) is 2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide is CNc1nccc(-c2sc(-c3cccc(F)c3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.CNc1nccc(-c2sc(-c3cnc(C)nc3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.CNc1nccc(-c2sc(-c3cnc(F)nc3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.
What is the InChIKey of 2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide?
The InChIKey is JWIJRBMYUCOXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F4N5O2S2.C26H20F3N7O2S2.C25H17F4N7O2S2/c1-14-9-10-18(29)25(21(14)30)40(37,38)36-19-8-4-7-17(22(19)31)23-24(20-11-12-33-27(32-2)34-20)39-26(35-23)15-5-3-6-16(28)13-15;1-13-7-8-17(27)24(20(13)28)40(37,38)36-18-6-4-5-16(21(18)29)22-23(19-9-10-31-26(30-3)34-19)39-25(35-22)15-11-32-14(2)33-12-15;1-12-6-7-15(26)22(18(12)27)40(37,38)36-16-5-3-4-14(19(16)28)20-21(17-8-9-31-25(30-2)34-17)39-23(35-20)13-10-32-24(29)33-11-13/h3-13,36H,1-2H3,(H,32,33,34);4-12,36H,1-3H3,(H,30,31,34);3-11,36H,1-2H3,(H,30,31,34).
What are the key properties of 2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide?
2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide has a molecular weight of 1756.81 g/mol, XLogP of 17.67, 21 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 163695143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).