2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine

C66H68F3N13S3 — CID 161033450

About 2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine

2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine (PubChem CID 161033450) has the molecular formula C66H68F3N13S3 and a molecular weight of 1196.56 g/mol. Its IUPAC name is 2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine
• PubChem CID: 161033450
• Molecular Formula: C66H68F3N13S3
• Molecular Weight: 1196.56 g/mol
• Exact Mass: 1195.48
• IUPAC Name: 2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine
• SMILES: CN(c1nc2ccc(-c3cc(C(F)(F)F)c4nn(C)cc4c3)cc2s1)C1CCNC(C)(C)C1.Cc1cc(-c2nc3ccc(C4=CCNCC4)cc3s2)cc2cn(C)nc12.Cc1cc(-c2nc3ccc(C4CCNCC4)cc3s2)cc2cn(C)nc12
• InChI: InChI=1S/C24H26F3N5S.C21H22N4S.C21H20N4S/c1-23(2)12-17(7-8-28-23)32(4)22-29-19-6-5-14(11-20(19)33-22)15-9-16-13-31(3)30-21(16)18(10-15)24(25,26)27;2*1-13-9-16(10-17-12-25(2)24-20(13)17)21-23-18-4-3-15(11-19(18)26-21)14-5-7-22-8-6-14/h5-6,9-11,13,17,28H,7-8,12H2,1-4H3;3-4,9-12,14,22H,5-8H2,1-2H3;3-5,9-12,22H,6-8H2,1-2H3
• InChIKey: TZXYMFZFWIZZCJ-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 131.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1196.56
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine?

The IUPAC name of 2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine (CID 161033450) is 2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine.

What is the SMILES notation for 2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine?

The canonical SMILES for 2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine is CN(c1nc2ccc(-c3cc(C(F)(F)F)c4nn(C)cc4c3)cc2s1)C1CCNC(C)(C)C1.Cc1cc(-c2nc3ccc(C4=CCNCC4)cc3s2)cc2cn(C)nc12.Cc1cc(-c2nc3ccc(C4CCNCC4)cc3s2)cc2cn(C)nc12.

What is the InChIKey of 2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine?

The InChIKey is TZXYMFZFWIZZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5S.C21H22N4S.C21H20N4S/c1-23(2)12-17(7-8-28-23)32(4)22-29-19-6-5-14(11-20(19)33-22)15-9-16-13-31(3)30-21(16)18(10-15)24(25,26)27;2*1-13-9-16(10-17-12-25(2)24-20(13)17)21-23-18-4-3-15(11-19(18)26-21)14-5-7-22-8-6-14/h5-6,9-11,13,17,28H,7-8,12H2,1-4H3;3-4,9-12,14,22H,5-8H2,1-2H3;3-5,9-12,22H,6-8H2,1-2H3.

What are the key properties of 2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine?

2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine has a molecular weight of 1196.56 g/mol, XLogP of 15.00, 7 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 161033450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).