N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide

C153H175F4N49O7S6 — CID 162140555

IUPACN-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCCN1CCN(c2nc(C)nc(Nc3ncc(C(=O)Nc4c(C)cccc4C)s3)n2)CC1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5ccccc5)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5ccccn5)CC4)n3)s2)c(C)c1.Cc1nc(NCCCN2CCOCC2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C28H29F3N8OS.C27H30N8OS.C26H27FN8OS.C26H29N9OS.C23H30N8O2S.C23H30N8OS/c1-16-12-17(2)23(18(3)13-16)35-24(40)22-15-32-27(41-22)37-25-33-19(4)34-26(36-25)39-10-8-38(9-11-39)21-7-5-6-20(14-21)28(29,30)31;1-17-14-18(2)23(19(3)15-17)31-24(36)22-16-28-27(37-22)33-25-29-20(4)30-26(32-25)35-12-10-34(11-13-35)21-8-6-5-7-9-21;1-16-5-4-6-17(2)22(16)31-23(36)21-15-28-26(37-21)33-24-29-18(3)30-25(32-24)35-13-11-34(12-14-35)20-9-7-19(27)8-10-20;1-16-13-17(2)22(18(3)14-16)31-23(36)20-15-28-26(37-20)33-24-29-19(4)30-25(32-24)35-11-9-34(10-12-35)21-7-5-6-8-27-21;1-15-6-4-7-16(2)19(15)28-20(32)18-14-25-23(34-18)30-22-27-17(3)26-21(29-22)24-8-5-9-31-10-12-33-13-11-31;1-5-9-30-10-12-31(13-11-30)22-26-17(4)25-21(28-22)29-23-24-14-18(33-23)20(32)27-19-15(2)7-6-8-16(19)3/h5-7,12-15H,8-11H2,1-4H3,(H,35,40)(H,32,33,34,36,37);5-9,14-16H,10-13H2,1-4H3,(H,31,36)(H,28,29,30,32,33);4-10,15H,11-14H2,1-3H3,(H,31,36)(H,28,29,30,32,33);5-8,13-15H,9-12H2,1-4H3,(H,31,36)(H,28,29,30,32,33);4,6-7,14H,5,8-13H2,1-3H3,(H,28,32)(H2,24,25,26,27,29,30);6-8,14H,5,9-13H2,1-4H3,(H,27,32)(H,24,25,26,28,29)
InChIKeyZJWICCXSUYYGKI-UHFFFAOYSA-N
MW3080.81 g/mol
LogP26.95
Rot. Bonds40

About N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide

N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 162140555) has the molecular formula C153H175F4N49O7S6 and a molecular weight of 3080.81 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID162140555
Molecular FormulaC153H175F4N49O7S6
Molecular Weight3080.81 g/mol
Exact Mass3078.31
IUPAC NameN-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCCN1CCN(c2nc(C)nc(Nc3ncc(C(=O)Nc4c(C)cccc4C)s3)n2)CC1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5ccccc5)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5ccccn5)CC4)n3)s2)c(C)c1.Cc1nc(NCCCN2CCOCC2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C28H29F3N8OS.C27H30N8OS.C26H27FN8OS.C26H29N9OS.C23H30N8O2S.C23H30N8OS/c1-16-12-17(2)23(18(3)13-16)35-24(40)22-15-32-27(41-22)37-25-33-19(4)34-26(36-25)39-10-8-38(9-11-39)21-7-5-6-20(14-21)28(29,30)31;1-17-14-18(2)23(19(3)15-17)31-24(36)22-16-28-27(37-22)33-25-29-20(4)30-26(32-25)35-12-10-34(11-13-35)21-8-6-5-7-9-21;1-16-5-4-6-17(2)22(16)31-23(36)21-15-28-26(37-21)33-24-29-18(3)30-25(32-24)35-13-11-34(12-14-35)20-9-7-19(27)8-10-20;1-16-13-17(2)22(18(3)14-16)31-23(36)20-15-28-26(37-20)33-24-29-19(4)30-25(32-24)35-11-9-34(10-12-35)21-7-5-6-8-27-21;1-15-6-4-7-16(2)19(15)28-20(32)18-14-25-23(34-18)30-22-27-17(3)26-21(29-22)24-8-5-9-31-10-12-33-13-11-31;1-5-9-30-10-12-31(13-11-30)22-26-17(4)25-21(28-22)29-23-24-14-18(33-23)20(32)27-19-15(2)7-6-8-16(19)3/h5-7,12-15H,8-11H2,1-4H3,(H,35,40)(H,32,33,34,36,37);5-9,14-16H,10-13H2,1-4H3,(H,31,36)(H,28,29,30,32,33);4-10,15H,11-14H2,1-3H3,(H,31,36)(H,28,29,30,32,33);5-8,13-15H,9-12H2,1-4H3,(H,31,36)(H,28,29,30,32,33);4,6-7,14H,5,8-13H2,1-3H3,(H,28,32)(H2,24,25,26,27,29,30);6-8,14H,5,9-13H2,1-4H3,(H,27,32)(H,24,25,26,28,29)
InChIKeyZJWICCXSUYYGKI-UHFFFAOYSA-N
XLogP26.95
TPSA625.93 Ų
H-Bond Donors13
H-Bond Acceptors56
Rotatable Bonds40
Heavy Atoms219
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003080.81
LogP ≤ 526.95
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide (CID 162140555) is N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide is CCCN1CCN(c2nc(C)nc(Nc3ncc(C(=O)Nc4c(C)cccc4C)s3)n2)CC1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5ccccc5)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5ccccn5)CC4)n3)s2)c(C)c1.Cc1nc(NCCCN2CCOCC2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZJWICCXSUYYGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N8OS.C27H30N8OS.C26H27FN8OS.C26H29N9OS.C23H30N8O2S.C23H30N8OS/c1-16-12-17(2)23(18(3)13-16)35-24(40)22-15-32-27(41-22)37-25-33-19(4)34-26(36-25)39-10-8-38(9-11-39)21-7-5-6-20(14-21)28(29,30)31;1-17-14-18(2)23(19(3)15-17)31-24(36)22-16-28-27(37-22)33-25-29-20(4)30-26(32-25)35-12-10-34(11-13-35)21-8-6-5-7-9-21;1-16-5-4-6-17(2)22(16)31-23(36)21-15-28-26(37-21)33-24-29-18(3)30-25(32-24)35-13-11-34(12-14-35)20-9-7-19(27)8-10-20;1-16-13-17(2)22(18(3)14-16)31-23(36)20-15-28-26(37-20)33-24-29-19(4)30-25(32-24)35-11-9-34(10-12-35)21-7-5-6-8-27-21;1-15-6-4-7-16(2)19(15)28-20(32)18-14-25-23(34-18)30-22-27-17(3)26-21(29-22)24-8-5-9-31-10-12-33-13-11-31;1-5-9-30-10-12-31(13-11-30)22-26-17(4)25-21(28-22)29-23-24-14-18(33-23)20(32)27-19-15(2)7-6-8-16(19)3/h5-7,12-15H,8-11H2,1-4H3,(H,35,40)(H,32,33,34,36,37);5-9,14-16H,10-13H2,1-4H3,(H,31,36)(H,28,29,30,32,33);4-10,15H,11-14H2,1-3H3,(H,31,36)(H,28,29,30,32,33);5-8,13-15H,9-12H2,1-4H3,(H,31,36)(H,28,29,30,32,33);4,6-7,14H,5,8-13H2,1-3H3,(H,28,32)(H2,24,25,26,27,29,30);6-8,14H,5,9-13H2,1-4H3,(H,27,32)(H,24,25,26,28,29).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 3080.81 g/mol, XLogP of 26.95, 40 rotatable bonds, 13 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162140555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).