4-N-(4-dimethylphosphorylphenyl)-6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;1-[[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-fluorophenyl)ethenyl]-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine

C120H130F5N34O4PS5 — CID 158971859

About 4-N-(4-dimethylphosphorylphenyl)-6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;1-[[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-fluorophenyl)ethenyl]-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine

4-N-(4-dimethylphosphorylphenyl)-6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;1-[[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-fluorophenyl)ethenyl]-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 158971859) has the molecular formula C120H130F5N34O4PS5 and a molecular weight of 2398.89 g/mol. Its IUPAC name is 4-N-(4-dimethylphosphorylphenyl)-6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;1-[[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-fluorophenyl)ethenyl]-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-N-(4-dimethylphosphorylphenyl)-6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;1-[[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-fluorophenyl)ethenyl]-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine
• PubChem CID: 158971859
• Molecular Formula: C120H130F5N34O4PS5
• Molecular Weight: 2398.89 g/mol
• Exact Mass: 2396.93
• IUPAC Name: 4-N-(4-dimethylphosphorylphenyl)-6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;1-[[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-fluorophenyl)ethenyl]-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine
• SMILES: CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(N3CCN(c4ccncc4)CC3)n2)s1.CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(N3CCOCC3)n2)s1.CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(NC(C)c3ccncc3)n2)s1.CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(NCC(O)CN3CCOCC3)n2)s1.CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(Nc3ccc(P(C)(C)=O)cc3)n2)s1
• InChI: InChI=1S/C26H27FN8S.C25H26FN6OPS.C24H30FN7O2S.C24H24FN7S.C21H23FN6OS/c1-18(2)22-17-29-26(36-22)33-24-30-23(7-6-19-4-3-5-20(27)16-19)31-25(32-24)35-14-12-34(13-15-35)21-8-10-28-11-9-21;1-16(2)21-15-27-25(35-21)32-24-30-22(13-8-17-6-5-7-18(26)14-17)29-23(31-24)28-19-9-11-20(12-10-19)34(3,4)33;1-16(2)20-14-27-24(35-20)31-23-29-21(7-6-17-4-3-5-18(25)12-17)28-22(30-23)26-13-19(33)15-32-8-10-34-11-9-32;1-15(2)20-14-27-24(33-20)32-23-30-21(8-7-17-5-4-6-19(25)13-17)29-22(31-23)28-16(3)18-9-11-26-12-10-18;1-14(2)17-13-23-21(30-17)27-19-24-18(7-6-15-4-3-5-16(22)12-15)25-20(26-19)28-8-10-29-11-9-28/h3-11,16-18H,12-15H2,1-2H3,(H,29,30,31,32,33);5-16H,1-4H3,(H2,27,28,29,30,31,32);3-7,12,14,16,19,33H,8-11,13,15H2,1-2H3,(H2,26,27,28,29,30,31);4-16H,1-3H3,(H2,27,28,29,30,31,32);3-7,12-14H,8-11H2,1-2H3,(H,23,24,25,26,27)/b7-6+;13-8+;7-6+;8-7+;7-6+
• InChIKey: JNXNZMZJHDSVDS-MRWMAZRHSA-N
• XLogP: 25.75
• TPSA: 448.54 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 43
• Rotatable Bonds: 39
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2398.89
LogP ≤ 5	25.75
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-N-(4-dimethylphosphorylphenyl)-6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;1-[[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-fluorophenyl)ethenyl]-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine (CID 158971859) is 4-N-(4-dimethylphosphorylphenyl)-6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;1-[[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-fluorophenyl)ethenyl]-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine.

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

The canonical SMILES for 4-N-(4-dimethylphosphorylphenyl)-6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;1-[[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-fluorophenyl)ethenyl]-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(N3CCN(c4ccncc4)CC3)n2)s1.CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(N3CCOCC3)n2)s1.CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(NC(C)c3ccncc3)n2)s1.CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(NCC(O)CN3CCOCC3)n2)s1.CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(Nc3ccc(P(C)(C)=O)cc3)n2)s1.

What is the InChIKey of 4-N-(4-dimethylphosphorylphenyl)-6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;1-[[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-fluorophenyl)ethenyl]-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine?

The InChIKey is JNXNZMZJHDSVDS-MRWMAZRHSA-N. The full InChI is InChI=1S/C26H27FN8S.C25H26FN6OPS.C24H30FN7O2S.C24H24FN7S.C21H23FN6OS/c1-18(2)22-17-29-26(36-22)33-24-30-23(7-6-19-4-3-5-20(27)16-19)31-25(32-24)35-14-12-34(13-15-35)21-8-10-28-11-9-21;1-16(2)21-15-27-25(35-21)32-24-30-22(13-8-17-6-5-7-18(26)14-17)29-23(31-24)28-19-9-11-20(12-10-19)34(3,4)33;1-16(2)20-14-27-24(35-20)31-23-29-21(7-6-17-4-3-5-18(25)12-17)28-22(30-23)26-13-19(33)15-32-8-10-34-11-9-32;1-15(2)20-14-27-24(33-20)32-23-30-21(8-7-17-5-4-6-19(25)13-17)29-22(31-23)28-16(3)18-9-11-26-12-10-18;1-14(2)17-13-23-21(30-17)27-19-24-18(7-6-15-4-3-5-16(22)12-15)25-20(26-19)28-8-10-29-11-9-28/h3-11,16-18H,12-15H2,1-2H3,(H,29,30,31,32,33);5-16H,1-4H3,(H2,27,28,29,30,31,32);3-7,12,14,16,19,33H,8-11,13,15H2,1-2H3,(H2,26,27,28,29,30,31);4-16H,1-3H3,(H2,27,28,29,30,31,32);3-7,12-14H,8-11H2,1-2H3,(H,23,24,25,26,27)/b7-6+;13-8+;7-6+;8-7+;7-6+.

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

4-N-(4-dimethylphosphorylphenyl)-6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;1-[[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-fluorophenyl)ethenyl]-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 2398.89 g/mol, XLogP of 25.75, 39 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4-dimethylphosphorylphenyl)-6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;1-[[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-fluorophenyl)ethenyl]-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-[4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 158971859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).