5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole

C150H132ClF6N27S6 — CID 159250320

About 5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole

5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole (PubChem CID 159250320) has the molecular formula C150H132ClF6N27S6 and a molecular weight of 2654.74 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole
• PubChem CID: 159250320
• Molecular Formula: C150H132ClF6N27S6
• Molecular Weight: 2654.74 g/mol
• Exact Mass: 2651.91
• IUPAC Name: 5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole
• SMILES: CCc1ncc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)[nH]1.Cc1cc(-c2ncc(N3CCN(C)CC3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCCCN3CCN(C)CC3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(Cl)nc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cnc[nH]3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1ccc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cn1
• InChI: InChI=1S/C27H30FN5S.C26H21FN4S.C25H18ClFN4S.C25H22FN5S.C24H23FN4S.C23H18FN5S/c1-19-14-21(4-6-24(19)28)27-23(20-5-7-25-26(15-20)34-18-31-25)16-22(17-30-27)29-8-3-9-33-12-10-32(2)11-13-33;1-16-9-20(5-7-23(16)27)26-22(19-6-8-24-25(10-19)32-15-31-24)11-21(14-30-26)29-13-18-4-3-17(2)28-12-18;1-15-8-18(3-5-21(15)27)25-20(17-4-6-22-23(9-17)32-14-31-22)10-19(13-30-25)28-11-16-2-7-24(26)29-12-16;1-3-24-28-13-19(31-24)12-27-18-10-20(16-5-7-22-23(9-16)32-14-30-22)25(29-11-18)17-4-6-21(26)15(2)8-17;1-16-11-18(3-5-21(16)25)24-20(17-4-6-22-23(12-17)30-15-27-22)13-19(14-26-24)29-9-7-28(2)8-10-29;1-14-6-16(2-4-20(14)24)23-19(15-3-5-21-22(7-15)30-13-29-21)8-17(10-27-23)26-11-18-9-25-12-28-18/h4-7,14-18,29H,3,8-13H2,1-2H3;3-12,14-15,29H,13H2,1-2H3;2-10,12-14,28H,11H2,1H3;4-11,13-14,27H,3,12H2,1-2H3,(H,28,31);3-6,11-15H,7-10H2,1-2H3;2-10,12-13,26H,11H2,1H3,(H,25,28)
• InChIKey: KVFGBLFNWFOFMT-UHFFFAOYSA-N
• XLogP: 36.85
• TPSA: 310.93 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 31
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2654.74
LogP ≤ 5	36.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole?

The IUPAC name of 5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole (CID 159250320) is 5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole.

What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole?

The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole is CCc1ncc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)[nH]1.Cc1cc(-c2ncc(N3CCN(C)CC3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCCCN3CCN(C)CC3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(Cl)nc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cnc[nH]3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1ccc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cn1.

What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole?

The InChIKey is KVFGBLFNWFOFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5S.C26H21FN4S.C25H18ClFN4S.C25H22FN5S.C24H23FN4S.C23H18FN5S/c1-19-14-21(4-6-24(19)28)27-23(20-5-7-25-26(15-20)34-18-31-25)16-22(17-30-27)29-8-3-9-33-12-10-32(2)11-13-33;1-16-9-20(5-7-23(16)27)26-22(19-6-8-24-25(10-19)32-15-31-24)11-21(14-30-26)29-13-18-4-3-17(2)28-12-18;1-15-8-18(3-5-21(15)27)25-20(17-4-6-22-23(9-17)32-14-31-22)10-19(13-30-25)28-11-16-2-7-24(26)29-12-16;1-3-24-28-13-19(31-24)12-27-18-10-20(16-5-7-22-23(9-16)32-14-30-22)25(29-11-18)17-4-6-21(26)15(2)8-17;1-16-11-18(3-5-21(16)25)24-20(17-4-6-22-23(12-17)30-15-27-22)13-19(14-26-24)29-9-7-28(2)8-10-29;1-14-6-16(2-4-20(14)24)23-19(15-3-5-21-22(7-15)30-13-29-21)8-17(10-27-23)26-11-18-9-25-12-28-18/h4-7,14-18,29H,3,8-13H2,1-2H3;3-12,14-15,29H,13H2,1-2H3;2-10,12-14,28H,11H2,1H3;4-11,13-14,27H,3,12H2,1-2H3,(H,28,31);3-6,11-15H,7-10H2,1-2H3;2-10,12-13,26H,11H2,1H3,(H,25,28).

What are the key properties of 5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole?

5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 2654.74 g/mol, XLogP of 36.85, 31 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 159250320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).