6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole

C66H68FN11O2S3 — CID 159294117

About 6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole

6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole (PubChem CID 159294117) has the molecular formula C66H68FN11O2S3 and a molecular weight of 1162.54 g/mol. Its IUPAC name is 6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole.

Molecular Properties

• Compound Name: 6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole
• PubChem CID: 159294117
• Molecular Formula: C66H68FN11O2S3
• Molecular Weight: 1162.54 g/mol
• Exact Mass: 1161.47
• IUPAC Name: 6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole
• SMILES: CC1C=C(c2nc3ccc(-c4ccc5nn(C)cc5c4)cc3s2)CCN1.Cc1cc(-c2ccc3nc(OC4CC(C)(C)NC(C)(C)C4)sc3c2)cc2cn(C)nc12.Cc1nc2ccc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc2o1
• InChI: InChI=1S/C25H30N4OS.C21H20N4S.C20H18FN3OS/c1-15-9-17(10-18-14-29(6)27-22(15)18)16-7-8-20-21(11-16)31-23(26-20)30-19-12-24(2,3)28-25(4,5)13-19;1-13-9-16(7-8-22-13)21-23-19-6-4-15(11-20(19)26-21)14-3-5-18-17(10-14)12-25(2)24-18;1-11-23-16-3-2-13(9-17(16)25-11)14-8-15(21)19-18(10-14)26-20(24-19)12-4-6-22-7-5-12/h7-11,14,19,28H,12-13H2,1-6H3;3-6,9-13,22H,7-8H2,1-2H3;2-3,8-10,12,22H,4-7H2,1H3
• InChIKey: LAMNRGLOWANXIE-UHFFFAOYSA-N
• XLogP: 15.48
• TPSA: 145.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1162.54
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?

The IUPAC name of 6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole (CID 159294117) is 6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole.

What is the SMILES notation for 6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?

The canonical SMILES for 6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole is CC1C=C(c2nc3ccc(-c4ccc5nn(C)cc5c4)cc3s2)CCN1.Cc1cc(-c2ccc3nc(OC4CC(C)(C)NC(C)(C)C4)sc3c2)cc2cn(C)nc12.Cc1nc2ccc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc2o1.

What is the InChIKey of 6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?

The InChIKey is LAMNRGLOWANXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OS.C21H20N4S.C20H18FN3OS/c1-15-9-17(10-18-14-29(6)27-22(15)18)16-7-8-20-21(11-16)31-23(26-20)30-19-12-24(2,3)28-25(4,5)13-19;1-13-9-16(7-8-22-13)21-23-19-6-4-15(11-20(19)26-21)14-3-5-18-17(10-14)12-25(2)24-18;1-11-23-16-3-2-13(9-17(16)25-11)14-8-15(21)19-18(10-14)26-20(24-19)12-4-6-22-7-5-12/h7-11,14,19,28H,12-13H2,1-6H3;3-6,9-13,22H,7-8H2,1-2H3;2-3,8-10,12,22H,4-7H2,1H3.

What are the key properties of 6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?

6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole has a molecular weight of 1162.54 g/mol, XLogP of 15.48, 7 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,7-dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 159294117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).