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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole

C176H148ClF7N28O4S7 — CID 161427406

About 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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole

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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole (PubChem CID 161427406) has the molecular formula C176H148ClF7N28O4S7 and a molecular weight of 3112.22 g/mol. Its IUPAC name is 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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;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)-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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole
• PubChem CID: 161427406
• Molecular Formula: C176H148ClF7N28O4S7
• Molecular Weight: 3112.22 g/mol
• Exact Mass: 3108.99
• IUPAC Name: 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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole
• SMILES: CCCC(=O)Nc1cnc(-c2ccc(F)c(C)c2)c(-c2ccc3ncsc3c2)c1.Cc1cc(-c2ncc(-c3ccc(NC=O)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(N3CCN(C)CC3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NC(=O)CCCc3ccncc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NC(=O)c3ccc(Cl)nc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCCCN3CCN(C)CC3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cnc[nH]3)cc2-c2ccc3ncsc3c2)ccc1F
• InChI: InChI=1S/C28H23FN4OS.C27H30FN5S.C26H18FN3OS.C25H16ClFN4OS.C24H23FN4S.C23H18FN5S.C23H20FN3OS/c1-18-13-21(5-7-24(18)29)28-23(20-6-8-25-26(14-20)35-17-32-25)15-22(16-31-28)33-27(34)4-2-3-19-9-11-30-12-10-19;1-19-14-21(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;1-16-10-19(4-8-23(16)27)26-22(18-5-9-24-25(12-18)32-15-30-24)11-20(13-28-26)17-2-6-21(7-3-17)29-14-31;1-14-8-16(2-5-20(14)27)24-19(15-3-6-21-22(9-15)33-13-30-21)10-18(12-29-24)31-25(32)17-4-7-23(26)28-11-17;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;1-3-4-22(28)27-17-11-18(15-6-8-20-21(10-15)29-13-26-20)23(25-12-17)16-5-7-19(24)14(2)9-16/h5-17H,2-4H2,1H3,(H,33,34);4-7,14-18,29H,3,8-13H2,1-2H3;2-15H,1H3,(H,29,31);2-13H,1H3,(H,31,32);3-6,11-15H,7-10H2,1-2H3;2-10,12-13,26H,11H2,1H3,(H,25,28);5-13H,3-4H2,1-2H3,(H,27,28)
• InChIKey: VXNXAJMTEYQOSR-UHFFFAOYSA-N
• XLogP: 43.08
• TPSA: 388.34 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 36
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3112.22
LogP ≤ 5	43.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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)-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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;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)-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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole (CID 161427406) is 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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;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)-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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;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)-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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole is CCCC(=O)Nc1cnc(-c2ccc(F)c(C)c2)c(-c2ccc3ncsc3c2)c1.Cc1cc(-c2ncc(-c3ccc(NC=O)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(N3CCN(C)CC3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NC(=O)CCCc3ccncc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NC(=O)c3ccc(Cl)nc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCCCN3CCN(C)CC3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cnc[nH]3)cc2-c2ccc3ncsc3c2)ccc1F.

What is the InChIKey of 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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole?

The InChIKey is VXNXAJMTEYQOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4OS.C27H30FN5S.C26H18FN3OS.C25H16ClFN4OS.C24H23FN4S.C23H18FN5S.C23H20FN3OS/c1-18-13-21(5-7-24(18)29)28-23(20-6-8-25-26(14-20)35-17-32-25)15-22(16-31-28)33-27(34)4-2-3-19-9-11-30-12-10-19;1-19-14-21(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;1-16-10-19(4-8-23(16)27)26-22(18-5-9-24-25(12-18)32-15-30-24)11-20(13-28-26)17-2-6-21(7-3-17)29-14-31;1-14-8-16(2-5-20(14)27)24-19(15-3-6-21-22(9-15)33-13-30-21)10-18(12-29-24)31-25(32)17-4-7-23(26)28-11-17;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;1-3-4-22(28)27-17-11-18(15-6-8-20-21(10-15)29-13-26-20)23(25-12-17)16-5-7-19(24)14(2)9-16/h5-17H,2-4H2,1H3,(H,33,34);4-7,14-18,29H,3,8-13H2,1-2H3;2-15H,1H3,(H,29,31);2-13H,1H3,(H,31,32);3-6,11-15H,7-10H2,1-2H3;2-10,12-13,26H,11H2,1H3,(H,25,28);5-13H,3-4H2,1-2H3,(H,27,28).

What are the key properties of 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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole?

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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 3112.22 g/mol, XLogP of 43.08, 36 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 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;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-chloropyridine-3-carboxamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 161427406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).