4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol

C112H122F11N34O3PS5 — CID 158862382

About 4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol

4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 158862382) has the molecular formula C112H122F11N34O3PS5 and a molecular weight of 2392.73 g/mol. Its IUPAC name is 4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

• Compound Name: 4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol
• PubChem CID: 158862382
• Molecular Formula: C112H122F11N34O3PS5
• Molecular Weight: 2392.73 g/mol
• Exact Mass: 2390.86
• IUPAC Name: 4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol
• SMILES: CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(N3CCN(C)CC3)n2)s1.CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(N3CCNCC3)n2)s1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCCN(C)CC3)n2)s1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(NCC(O)CN3CCOCC3)n2)s1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(Nc3ccc(P(C)(C)=O)cc3)n2)s1
• InChI: InChI=1S/C24H22F3N6OPS.C23H26F3N7O2S.C22H24F3N7S.C22H26FN7S.C21H24FN7S/c1-15-14-28-23(36-15)33-22-31-20(12-7-16-5-4-6-17(13-16)24(25,26)27)30-21(32-22)29-18-8-10-19(11-9-18)35(2,3)34;1-15-12-28-22(36-15)32-21-30-19(6-5-16-3-2-4-17(11-16)23(24,25)26)29-20(31-21)27-13-18(34)14-33-7-9-35-10-8-33;1-15-14-26-21(33-15)30-19-27-18(8-7-16-5-3-6-17(13-16)22(23,24)25)28-20(29-19)32-10-4-9-31(2)11-12-32;1-15(2)18-14-24-22(31-18)28-20-25-19(8-7-16-5-4-6-17(23)13-16)26-21(27-20)30-11-9-29(3)10-12-30;1-14(2)17-13-24-21(30-17)28-19-25-18(7-6-15-4-3-5-16(22)12-15)26-20(27-19)29-10-8-23-9-11-29/h4-14H,1-3H3,(H2,28,29,30,31,32,33);2-6,11-12,18,34H,7-10,13-14H2,1H3,(H2,27,28,29,30,31,32);3,5-8,13-14H,4,9-12H2,1-2H3,(H,26,27,28,29,30);4-8,13-15H,9-12H2,1-3H3,(H,24,25,26,27,28);3-7,12-14,23H,8-11H2,1-2H3,(H,24,25,26,27,28)/b12-7+;6-5+;2*8-7+;7-6+
• InChIKey: JAUQYGLGYQBREV-BFKKAXJLSA-N
• XLogP: 23.12
• TPSA: 420.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 33
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2392.73
LogP ≤ 5	23.12
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol?

The IUPAC name of 4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol (CID 158862382) is 4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol.

What is the SMILES notation for 4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol?

The canonical SMILES for 4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol is CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(N3CCN(C)CC3)n2)s1.CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(N3CCNCC3)n2)s1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCCN(C)CC3)n2)s1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(NCC(O)CN3CCOCC3)n2)s1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(Nc3ccc(P(C)(C)=O)cc3)n2)s1.

What is the InChIKey of 4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol?

The InChIKey is JAUQYGLGYQBREV-BFKKAXJLSA-N. The full InChI is InChI=1S/C24H22F3N6OPS.C23H26F3N7O2S.C22H24F3N7S.C22H26FN7S.C21H24FN7S/c1-15-14-28-23(36-15)33-22-31-20(12-7-16-5-4-6-17(13-16)24(25,26)27)30-21(32-22)29-18-8-10-19(11-9-18)35(2,3)34;1-15-12-28-22(36-15)32-21-30-19(6-5-16-3-2-4-17(11-16)23(24,25)26)29-20(31-21)27-13-18(34)14-33-7-9-35-10-8-33;1-15-14-26-21(33-15)30-19-27-18(8-7-16-5-3-6-17(13-16)22(23,24)25)28-20(29-19)32-10-4-9-31(2)11-12-32;1-15(2)18-14-24-22(31-18)28-20-25-19(8-7-16-5-4-6-17(23)13-16)26-21(27-20)30-11-9-29(3)10-12-30;1-14(2)17-13-24-21(30-17)28-19-25-18(7-6-15-4-3-5-16(22)12-15)26-20(27-19)29-10-8-23-9-11-29/h4-14H,1-3H3,(H2,28,29,30,31,32,33);2-6,11-12,18,34H,7-10,13-14H2,1H3,(H2,27,28,29,30,31,32);3,5-8,13-14H,4,9-12H2,1-2H3,(H,26,27,28,29,30);4-8,13-15H,9-12H2,1-3H3,(H,24,25,26,27,28);3-7,12-14,23H,8-11H2,1-2H3,(H,24,25,26,27,28)/b12-7+;6-5+;2*8-7+;7-6+.

What are the key properties of 4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol?

4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 2392.73 g/mol, XLogP of 23.12, 33 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4-dimethylphosphorylphenyl)-2-N-(5-methyl-1,3-thiazol-2-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;1-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 158862382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).