2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine

C107H139F5N40S5 — CID 160964896

About 2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine

2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 160964896) has the molecular formula C107H139F5N40S5 and a molecular weight of 2240.89 g/mol. Its IUPAC name is 2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 160964896
• Molecular Formula: C107H139F5N40S5
• Molecular Weight: 2240.89 g/mol
• Exact Mass: 2239.06
• IUPAC Name: 2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)c1cnc(Nc2nc(NC(C)c3ccc(F)cc3)nc(N3CCN(C)CC3)n2)s1.CC(C)c1cnc(Nc2nc(NCc3ccc(F)cc3)nc(N3CCN(C)CC3)n2)s1.CC(C)c1cnc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc(N3CCN(C)CC3)n2)s1.CC(C)c1cnc(Nc2nc(N[C@H](C)c3ccc(F)cc3)nc(N3CCN(C)CC3)n2)s1.Cc1cnc(Nc2nc(NC(C)c3ccc(F)cc3)nc(N3CCN(C)CC3)n2)s1
• InChI: InChI=1S/3C22H29FN8S.C21H27FN8S.C20H25FN8S/c3*1-14(2)18-13-24-22(32-18)29-20-26-19(25-15(3)16-5-7-17(23)8-6-16)27-21(28-20)31-11-9-30(4)10-12-31;1-14(2)17-13-24-21(31-17)28-19-25-18(23-12-15-4-6-16(22)7-5-15)26-20(27-19)30-10-8-29(3)9-11-30;1-13-12-22-20(30-13)27-18-24-17(23-14(2)15-4-6-16(21)7-5-15)25-19(26-18)29-10-8-28(3)9-11-29/h3*5-8,13-15H,9-12H2,1-4H3,(H2,24,25,26,27,28,29);4-7,13-14H,8-12H2,1-3H3,(H2,23,24,25,26,27,28);4-7,12,14H,8-11H2,1-3H3,(H2,22,23,24,25,26,27)/t2*15-;;;/m10.../s1
• InChIKey: SXMJPOOMYUSDIQ-LEHZRZNWSA-N
• XLogP: 19.92
• TPSA: 410.50 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 45
• Rotatable Bonds: 34
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2240.89
LogP ≤ 5	19.92
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine (CID 160964896) is 2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)c1cnc(Nc2nc(NC(C)c3ccc(F)cc3)nc(N3CCN(C)CC3)n2)s1.CC(C)c1cnc(Nc2nc(NCc3ccc(F)cc3)nc(N3CCN(C)CC3)n2)s1.CC(C)c1cnc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc(N3CCN(C)CC3)n2)s1.CC(C)c1cnc(Nc2nc(N[C@H](C)c3ccc(F)cc3)nc(N3CCN(C)CC3)n2)s1.Cc1cnc(Nc2nc(NC(C)c3ccc(F)cc3)nc(N3CCN(C)CC3)n2)s1.

What is the InChIKey of 2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?

The InChIKey is SXMJPOOMYUSDIQ-LEHZRZNWSA-N. The full InChI is InChI=1S/3C22H29FN8S.C21H27FN8S.C20H25FN8S/c3*1-14(2)18-13-24-22(32-18)29-20-26-19(25-15(3)16-5-7-17(23)8-6-16)27-21(28-20)31-11-9-30(4)10-12-31;1-14(2)17-13-24-21(31-17)28-19-25-18(23-12-15-4-6-16(22)7-5-15)26-20(27-19)30-10-8-29(3)9-11-30;1-13-12-22-20(30-13)27-18-24-17(23-14(2)15-4-6-16(21)7-5-15)25-19(26-18)29-10-8-28(3)9-11-29/h3*5-8,13-15H,9-12H2,1-4H3,(H2,24,25,26,27,28,29);4-7,13-14H,8-12H2,1-3H3,(H2,23,24,25,26,27,28);4-7,12,14H,8-11H2,1-3H3,(H2,22,23,24,25,26,27)/t2*15-;;;/m10.../s1.

What are the key properties of 2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?

2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 2240.89 g/mol, XLogP of 19.92, 34 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 160964896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).