6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

C₆₈H₇₇F₄N₁₇S₃ — CID 158073432

About 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 158073432) has the molecular formula C₆₈H₇₇F₄N₁₇S₃ and a molecular weight of 1304.68 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
• PubChem CID: 158073432
• Molecular Formula: C₆₈H₇₇F₄N₁₇S₃
• Molecular Weight: 1304.68 g/mol
• Exact Mass: 1303.56
• IUPAC Name: 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
• SMILES: CN(c1nc2ccc(-c3cc(F)c4nn(C)cc4c3)nc2s1)C1CC(C)(C)NC(C)(C)C1.Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)cc(C)c2n1.Cn1cc2cc(-c3cc(F)c4nc(N5CCNCC5)sc4c3)cc(F)c2n1
• InChI: InChI=1S/C25H31FN6S.C24H29FN6S.C19H17F2N5S/c1-14-8-19(29-32-13-15(2)27-22(14)32)16-9-18(26)21-20(10-16)33-23(28-21)31(7)17-11-24(3,4)30-25(5,6)12-17;1-23(2)11-16(12-24(3,4)29-23)31(6)22-27-19-8-7-18(26-21(19)32-22)14-9-15-13-30(5)28-20(15)17(25)10-14;1-25-10-13-6-11(7-14(20)17(13)24-25)12-8-15(21)18-16(9-12)27-19(23-18)26-4-2-22-3-5-26/h8-10,13,17,30H,11-12H2,1-7H3;7-10,13,16,29H,11-12H2,1-6H3;6-10,22H,2-5H2,1H3
• InChIKey: FMBXAPMWMOWOCL-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 163.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1304.68
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 158073432) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is CN(c1nc2ccc(-c3cc(F)c4nn(C)cc4c3)nc2s1)C1CC(C)(C)NC(C)(C)C1.Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)cc(C)c2n1.Cn1cc2cc(-c3cc(F)c4nc(N5CCNCC5)sc4c3)cc(F)c2n1.

What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The InChIKey is FMBXAPMWMOWOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6S.C24H29FN6S.C19H17F2N5S/c1-14-8-19(29-32-13-15(2)27-22(14)32)16-9-18(26)21-20(10-16)33-23(28-21)31(7)17-11-24(3,4)30-25(5,6)12-17;1-23(2)11-16(12-24(3,4)29-23)31(6)22-27-19-8-7-18(26-21(19)32-22)14-9-15-13-30(5)28-20(15)17(25)10-14;1-25-10-13-6-11(7-14(20)17(13)24-25)12-8-15(21)18-16(9-12)27-19(23-18)26-4-2-22-3-5-26/h8-10,13,17,30H,11-12H2,1-7H3;7-10,13,16,29H,11-12H2,1-6H3;6-10,22H,2-5H2,1H3.

What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 1304.68 g/mol, XLogP of 14.17, 8 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 158073432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158073432 — identifiers, structure, computed properties (public domain)

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