6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine

C113H113F8N35O2S4 — CID 159805773

About 6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine

6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 159805773) has the molecular formula C113H113F8N35O2S4 and a molecular weight of 2273.64 g/mol. Its IUPAC name is 6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
• PubChem CID: 159805773
• Molecular Formula: C113H113F8N35O2S4
• Molecular Weight: 2273.64 g/mol
• Exact Mass: 2271.86
• IUPAC Name: 6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
• SMILES: CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(NCc3cccnc3)n2)s1.CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(NCc3ccncc3)n2)s1.CC1=CC(Nc2nc(/C=C/c3ccc(CO)cc3)nc(N3CCN(C)CC3)n2)=NC1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCN(c4ccncc4)CC3)n2)s1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)s1
• InChI: InChI=1S/C25H23F3N8S.2C23H22FN7S.C22H27N7O.C20H19F3N6OS/c1-17-16-30-24(37-17)34-22-31-21(6-5-18-3-2-4-19(15-18)25(26,27)28)32-23(33-22)36-13-11-35(12-14-36)20-7-9-29-10-8-20;1-15(2)19-14-27-23(32-19)31-22-29-20(9-8-16-5-3-7-18(24)11-16)28-21(30-22)26-13-17-6-4-10-25-12-17;1-15(2)19-14-27-23(32-19)31-22-29-20(7-6-16-4-3-5-18(24)12-16)28-21(30-22)26-13-17-8-10-25-11-9-17;1-16-13-20(23-14-16)25-21-24-19(8-7-17-3-5-18(15-30)6-4-17)26-22(27-21)29-11-9-28(2)10-12-29;1-13-12-24-19(31-13)28-17-25-16(26-18(27-17)29-7-9-30-10-8-29)6-5-14-3-2-4-15(11-14)20(21,22)23/h2-10,15-16H,11-14H2,1H3,(H,30,31,32,33,34);2*3-12,14-15H,13H2,1-2H3,(H2,26,27,28,29,30,31);3-8,13,30H,9-12,14-15H2,1-2H3,(H,23,24,25,26,27);2-6,11-12H,7-10H2,1H3,(H,24,25,26,27,28)/b6-5+;9-8+;7-6+;8-7+;6-5+
• InChIKey: NKJIRZMPBYGOGP-SHPUACSJSA-N
• XLogP: 22.78
• TPSA: 425.81 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 32
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2273.64
LogP ≤ 5	22.78
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?

The IUPAC name of 6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine (CID 159805773) is 6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine.

What is the SMILES notation for 6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?

The canonical SMILES for 6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine is CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(NCc3cccnc3)n2)s1.CC(C)c1cnc(Nc2nc(/C=C/c3cccc(F)c3)nc(NCc3ccncc3)n2)s1.CC1=CC(Nc2nc(/C=C/c3ccc(CO)cc3)nc(N3CCN(C)CC3)n2)=NC1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCN(c4ccncc4)CC3)n2)s1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)s1.

What is the InChIKey of 6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?

The InChIKey is NKJIRZMPBYGOGP-SHPUACSJSA-N. The full InChI is InChI=1S/C25H23F3N8S.2C23H22FN7S.C22H27N7O.C20H19F3N6OS/c1-17-16-30-24(37-17)34-22-31-21(6-5-18-3-2-4-19(15-18)25(26,27)28)32-23(33-22)36-13-11-35(12-14-36)20-7-9-29-10-8-20;1-15(2)19-14-27-23(32-19)31-22-29-20(9-8-16-5-3-7-18(24)11-16)28-21(30-22)26-13-17-6-4-10-25-12-17;1-15(2)19-14-27-23(32-19)31-22-29-20(7-6-16-4-3-5-18(24)12-16)28-21(30-22)26-13-17-8-10-25-11-9-17;1-16-13-20(23-14-16)25-21-24-19(8-7-17-3-5-18(15-30)6-4-17)26-22(27-21)29-11-9-28(2)10-12-29;1-13-12-24-19(31-13)28-17-25-16(26-18(27-17)29-7-9-30-10-8-29)6-5-14-3-2-4-15(11-14)20(21,22)23/h2-10,15-16H,11-14H2,1H3,(H,30,31,32,33,34);2*3-12,14-15H,13H2,1-2H3,(H2,26,27,28,29,30,31);3-8,13,30H,9-12,14-15H2,1-2H3,(H,23,24,25,26,27);2-6,11-12H,7-10H2,1H3,(H,24,25,26,27,28)/b6-5+;9-8+;7-6+;8-7+;6-5+.

What are the key properties of 6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?

6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 2273.64 g/mol, XLogP of 22.78, 32 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine;5-methyl-N-[4-morpholin-4-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]ethenyl]phenyl]methanol;5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 159805773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).