1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone

C135H144ClF9N22O14S8 — CID 160522386

About 1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone

1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 160522386) has the molecular formula C135H144ClF9N22O14S8 and a molecular weight of 2761.75 g/mol. Its IUPAC name is 1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone
• PubChem CID: 160522386
• Molecular Formula: C135H144ClF9N22O14S8
• Molecular Weight: 2761.75 g/mol
• Exact Mass: 2758.85
• IUPAC Name: 1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone
• SMILES: CC(=O)c1ccc(OC(F)(F)F)c(Cc2nc(-c3ccc(N4CCN(C)CC4)nc3)cs2)c1.CC(=O)c1ccc(OC(F)(F)F)c(Cc2nc(-c3ccnc(Cl)c3)cs2)c1.CC(=O)c1ccc(OC(F)(F)F)c(Cc2nc(-c3ccnc(N4CCN(C)CC4)c3)cs2)c1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(N3CCN(C)CC3)nc2)cs1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccnc(N3CCN(C)CC3)c2)cs1.COc1ccc(C(C)=O)cc1Cc1nc(-c2ccc(N3CCN(C)CC3)nc2)cs1
• InChI: InChI=1S/2C24H30N4O3S2.2C23H23F3N4O2S.C23H26N4O2S.C18H12ClF3N2O2S/c1-17(2)31-22-7-6-20(33(4,29)30)13-19(22)14-24-26-21(16-32-24)18-5-8-23(25-15-18)28-11-9-27(3)10-12-28;1-17(2)31-22-6-5-20(33(4,29)30)13-19(22)15-24-26-21(16-32-24)18-7-8-25-23(14-18)28-11-9-27(3)10-12-28;1-15(31)16-3-5-20(32-23(24,25)26)18(11-16)12-22-28-19(14-33-22)17-4-6-21(27-13-17)30-9-7-29(2)8-10-30;1-15(31)16-3-4-20(32-23(24,25)26)18(11-16)13-22-28-19(14-33-22)17-5-6-27-21(12-17)30-9-7-29(2)8-10-30;1-16(28)17-4-6-21(29-3)19(12-17)13-23-25-20(15-30-23)18-5-7-22(24-14-18)27-10-8-26(2)9-11-27;1-10(25)11-2-3-15(26-18(20,21)22)13(6-11)8-17-24-14(9-27-17)12-4-5-23-16(19)7-12/h5-8,13,15-17H,9-12,14H2,1-4H3;5-8,13-14,16-17H,9-12,15H2,1-4H3;3-6,11,13-14H,7-10,12H2,1-2H3;3-6,11-12,14H,7-10,13H2,1-2H3;4-7,12,14-15H,8-11,13H2,1-3H3;2-7,9H,8H2,1H3
• InChIKey: QULHDVRXEKIIOS-UHFFFAOYSA-N
• XLogP: 26.08
• TPSA: 379.02 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 37
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2761.75
LogP ≤ 5	26.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone?

The IUPAC name of 1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone (CID 160522386) is 1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone.

What is the SMILES notation for 1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone?

The canonical SMILES for 1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone is CC(=O)c1ccc(OC(F)(F)F)c(Cc2nc(-c3ccc(N4CCN(C)CC4)nc3)cs2)c1.CC(=O)c1ccc(OC(F)(F)F)c(Cc2nc(-c3ccnc(Cl)c3)cs2)c1.CC(=O)c1ccc(OC(F)(F)F)c(Cc2nc(-c3ccnc(N4CCN(C)CC4)c3)cs2)c1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(N3CCN(C)CC3)nc2)cs1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccnc(N3CCN(C)CC3)c2)cs1.COc1ccc(C(C)=O)cc1Cc1nc(-c2ccc(N3CCN(C)CC3)nc2)cs1.

What is the InChIKey of 1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone?

The InChIKey is QULHDVRXEKIIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H30N4O3S2.2C23H23F3N4O2S.C23H26N4O2S.C18H12ClF3N2O2S/c1-17(2)31-22-7-6-20(33(4,29)30)13-19(22)14-24-26-21(16-32-24)18-5-8-23(25-15-18)28-11-9-27(3)10-12-28;1-17(2)31-22-6-5-20(33(4,29)30)13-19(22)15-24-26-21(16-32-24)18-7-8-25-23(14-18)28-11-9-27(3)10-12-28;1-15(31)16-3-5-20(32-23(24,25)26)18(11-16)12-22-28-19(14-33-22)17-4-6-21(27-13-17)30-9-7-29(2)8-10-30;1-15(31)16-3-4-20(32-23(24,25)26)18(11-16)13-22-28-19(14-33-22)17-5-6-27-21(12-17)30-9-7-29(2)8-10-30;1-16(28)17-4-6-21(29-3)19(12-17)13-23-25-20(15-30-23)18-5-7-22(24-14-18)27-10-8-26(2)9-11-27;1-10(25)11-2-3-15(26-18(20,21)22)13(6-11)8-17-24-14(9-27-17)12-4-5-23-16(19)7-12/h5-8,13,15-17H,9-12,14H2,1-4H3;5-8,13-14,16-17H,9-12,15H2,1-4H3;3-6,11,13-14H,7-10,12H2,1-2H3;3-6,11-12,14H,7-10,13H2,1-2H3;4-7,12,14-15H,8-11,13H2,1-3H3;2-7,9H,8H2,1H3.

What are the key properties of 1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone?

1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 2761.75 g/mol, XLogP of 26.08, 37 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[4-methoxy-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]phenyl]ethanone;4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazole;1-[3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 160522386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).