6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C79H114B2Br2Cl2F3N15O4S3 — CID 161326983

About 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161326983) has the molecular formula C79H114B2Br2Cl2F3N15O4S3 and a molecular weight of 1743.41 g/mol. Its IUPAC name is 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 161326983
• Molecular Formula: C79H114B2Br2Cl2F3N15O4S3
• Molecular Weight: 1743.41 g/mol
• Exact Mass: 1739.62
• IUPAC Name: 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(c1nc2c(F)cc(Br)cc2s1)C1CC(C)(C)NC(C)(C)C1.CNC1CC(C)(C)NC(C)(C)C1.Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)ccc2n1.Cc1cn2nc(Cl)ccc2n1.Fc1cc(Br)cc2sc(Cl)nc12
• InChI: InChI=1S/C24H29FN6S.C17H23BrFN3S.C12H24B2O4.C10H22N2.C7H2BrClFNS.C7H6ClN3.2CH4/c1-14-13-31-20(26-14)8-7-18(28-31)15-9-17(25)21-19(10-15)32-22(27-21)30(6)16-11-23(2,3)29-24(4,5)12-16;1-16(2)8-11(9-17(3,4)21-16)22(5)15-20-14-12(19)6-10(18)7-13(14)23-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-9(2)6-8(11-5)7-10(3,4)12-9;8-3-1-4(10)6-5(2-3)12-7(9)11-6;1-5-4-11-7(9-5)3-2-6(8)10-11;;/h7-10,13,16,29H,11-12H2,1-6H3;6-7,11,21H,8-9H2,1-5H3;1-8H3;8,11-12H,6-7H2,1-5H3;1-2H;2-4H,1H3;2*1H4
• InChIKey: VKXARIHQBUELIM-UHFFFAOYSA-N
• XLogP: 20.72
• TPSA: 190.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 7
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1743.41
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161326983) is 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(c1nc2c(F)cc(Br)cc2s1)C1CC(C)(C)NC(C)(C)C1.CNC1CC(C)(C)NC(C)(C)C1.Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)ccc2n1.Cc1cn2nc(Cl)ccc2n1.Fc1cc(Br)cc2sc(Cl)nc12.

What is the InChIKey of 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is VKXARIHQBUELIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6S.C17H23BrFN3S.C12H24B2O4.C10H22N2.C7H2BrClFNS.C7H6ClN3.2CH4/c1-14-13-31-20(26-14)8-7-18(28-31)15-9-17(25)21-19(10-15)32-22(27-21)30(6)16-11-23(2,3)29-24(4,5)12-16;1-16(2)8-11(9-17(3,4)21-16)22(5)15-20-14-12(19)6-10(18)7-13(14)23-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-9(2)6-8(11-5)7-10(3,4)12-9;8-3-1-4(10)6-5(2-3)12-7(9)11-6;1-5-4-11-7(9-5)3-2-6(8)10-11;;/h7-10,13,16,29H,11-12H2,1-6H3;6-7,11,21H,8-9H2,1-5H3;1-8H3;8,11-12H,6-7H2,1-5H3;1-2H;2-4H,1H3;2*1H4.

What are the key properties of 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1743.41 g/mol, XLogP of 20.72, 7 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;6-bromo-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-chloro-2-methylimidazo[1,2-b]pyridazine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;methane;N,2,2,6,6-pentamethylpiperidin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 161326983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).