4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride

C128H156Br3Cl2F8N21O13S4 — CID 160850100

About 4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride

4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 160850100) has the molecular formula C128H156Br3Cl2F8N21O13S4 and a molecular weight of 2787.66 g/mol. Its IUPAC name is 4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride
• PubChem CID: 160850100
• Molecular Formula: C128H156Br3Cl2F8N21O13S4
• Molecular Weight: 2787.66 g/mol
• Exact Mass: 2781.79
• IUPAC Name: 4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2c(F)cc(Br)cc2F)CC1.CC(C)(C)OC(=O)N1CCC(C)(C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(C)(c2nc3c(F)cc(Br)cc3s2)CC1.Cc1cc(F)c2nc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)sc2c1.Cc1cn2nc(-c3cc(F)c4nc(C5(C)CCN(C(=O)OC(C)(C)C)CC5)sc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(C5(C)CCNCC5)sc4c3)cc(C)c2n1.Cc1cn2nc(Cl)cc(C)c2n1.Cl.Nc1c(F)cc(Br)cc1F
• InChI: InChI=1S/C26H30FN5O2S.C21H22FN5S.C19H25FN2O2S.C18H23BrF2N2O3.C18H22BrFN2O2S.C12H21NO4.C8H8ClN3.C6H4BrF2N.ClH/c1-15-11-19(30-32-14-16(2)28-22(15)32)17-12-18(27)21-20(13-17)35-23(29-21)26(6)7-9-31(10-8-26)24(33)34-25(3,4)5;1-12-8-16(26-27-11-13(2)24-19(12)27)14-9-15(22)18-17(10-14)28-20(25-18)21(3)4-6-23-7-5-21;1-12-10-13(20)15-14(11-12)25-16(21-15)19(5)6-8-22(9-7-19)17(23)24-18(2,3)4;1-17(2,3)26-16(25)23-7-5-18(4,6-8-23)15(24)22-14-12(20)9-11(19)10-13(14)21;1-17(2,3)24-16(23)22-7-5-18(4,6-8-22)15-21-14-12(20)9-11(19)10-13(14)25-15;1-11(2,3)17-10(16)13-7-5-12(4,6-8-13)9(14)15;1-5-3-7(9)11-12-4-6(2)10-8(5)12;7-3-1-4(8)6(10)5(9)2-3;/h11-14H,7-10H2,1-6H3;8-11,23H,4-7H2,1-3H3;10-11H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3,(H,22,24);9-10H,5-8H2,1-4H3;5-8H2,1-4H3,(H,14,15);3-4H,1-2H3;1-2H,10H2;1H
• InChIKey: AQKSXKSTNNCNFR-UHFFFAOYSA-N
• XLogP: 32.51
• TPSA: 394.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 9
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2787.66
LogP ≤ 5	32.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride?

The IUPAC name of 4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride (CID 160850100) is 4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride.

What is the SMILES notation for 4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride?

The canonical SMILES for 4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2c(F)cc(Br)cc2F)CC1.CC(C)(C)OC(=O)N1CCC(C)(C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(C)(c2nc3c(F)cc(Br)cc3s2)CC1.Cc1cc(F)c2nc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)sc2c1.Cc1cn2nc(-c3cc(F)c4nc(C5(C)CCN(C(=O)OC(C)(C)C)CC5)sc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(C5(C)CCNCC5)sc4c3)cc(C)c2n1.Cc1cn2nc(Cl)cc(C)c2n1.Cl.Nc1c(F)cc(Br)cc1F.

What is the InChIKey of 4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride?

The InChIKey is AQKSXKSTNNCNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2S.C21H22FN5S.C19H25FN2O2S.C18H23BrF2N2O3.C18H22BrFN2O2S.C12H21NO4.C8H8ClN3.C6H4BrF2N.ClH/c1-15-11-19(30-32-14-16(2)28-22(15)32)17-12-18(27)21-20(13-17)35-23(29-21)26(6)7-9-31(10-8-26)24(33)34-25(3,4)5;1-12-8-16(26-27-11-13(2)24-19(12)27)14-9-15(22)18-17(10-14)28-20(25-18)21(3)4-6-23-7-5-21;1-12-10-13(20)15-14(11-12)25-16(21-15)19(5)6-8-22(9-7-19)17(23)24-18(2,3)4;1-17(2,3)26-16(25)23-7-5-18(4,6-8-23)15(24)22-14-12(20)9-11(19)10-13(14)21;1-17(2,3)24-16(23)22-7-5-18(4,6-8-22)15-21-14-12(20)9-11(19)10-13(14)25-15;1-11(2,3)17-10(16)13-7-5-12(4,6-8-13)9(14)15;1-5-3-7(9)11-12-4-6(2)10-8(5)12;7-3-1-4(8)6(10)5(9)2-3;/h11-14H,7-10H2,1-6H3;8-11,23H,4-7H2,1-3H3;10-11H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3,(H,22,24);9-10H,5-8H2,1-4H3;5-8H2,1-4H3,(H,14,15);3-4H,1-2H3;1-2H,10H2;1H.

What are the key properties of 4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride?

4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 2787.66 g/mol, XLogP of 32.51, 9 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2,6-difluoroaniline;tert-butyl 4-[(4-bromo-2,6-difluorophenyl)carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzothiazole;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 160850100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).