7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole

C67H91N9O2S — CID 161315410

About 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole

7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole (PubChem CID 161315410) has the molecular formula C67H91N9O2S and a molecular weight of 1086.59 g/mol. Its IUPAC name is 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole.

Molecular Properties

• Compound Name: 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole
• PubChem CID: 161315410
• Molecular Formula: C67H91N9O2S
• Molecular Weight: 1086.59 g/mol
• Exact Mass: 1085.70
• IUPAC Name: 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole
• SMILES: Cc1cc(C)c(-c2nnc(CC3CC(C)(C)NC(C)(C)C3)s2)cc1C.Cc1ccc(-c2ccc(CC3CC(C)(C)NC(C)(C)C3)nn2)c(O)c1.Cc1ccc2cc(-c3ccc(CC4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2c1
• InChI: InChI=1S/C25H31N3O.C21H29N3O.C21H31N3S/c1-16-6-7-18-12-21(23(29)13-19(18)10-16)22-9-8-20(26-27-22)11-17-14-24(2,3)28-25(4,5)15-17;1-14-6-8-17(19(25)10-14)18-9-7-16(22-23-18)11-15-12-20(2,3)24-21(4,5)13-15;1-13-8-15(3)17(9-14(13)2)19-23-22-18(25-19)10-16-11-20(4,5)24-21(6,7)12-16/h6-10,12-13,17,28-29H,11,14-15H2,1-5H3;6-10,15,24-25H,11-13H2,1-5H3;8-9,16,24H,10-12H2,1-7H3
• InChIKey: VJKVICLORBGDPQ-UHFFFAOYSA-N
• XLogP: 14.90
• TPSA: 153.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1086.59
LogP ≤ 5	14.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole?

The IUPAC name of 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole (CID 161315410) is 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole.

What is the SMILES notation for 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole?

The canonical SMILES for 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole is Cc1cc(C)c(-c2nnc(CC3CC(C)(C)NC(C)(C)C3)s2)cc1C.Cc1ccc(-c2ccc(CC3CC(C)(C)NC(C)(C)C3)nn2)c(O)c1.Cc1ccc2cc(-c3ccc(CC4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2c1.

What is the InChIKey of 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole?

The InChIKey is VJKVICLORBGDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O.C21H29N3O.C21H31N3S/c1-16-6-7-18-12-21(23(29)13-19(18)10-16)22-9-8-20(26-27-22)11-17-14-24(2,3)28-25(4,5)15-17;1-14-6-8-17(19(25)10-14)18-9-7-16(22-23-18)11-15-12-20(2,3)24-21(4,5)13-15;1-13-8-15(3)17(9-14(13)2)19-23-22-18(25-19)10-16-11-20(4,5)24-21(6,7)12-16/h6-10,12-13,17,28-29H,11,14-15H2,1-5H3;6-10,15,24-25H,11-13H2,1-5H3;8-9,16,24H,10-12H2,1-7H3.

What are the key properties of 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole?

7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole has a molecular weight of 1086.59 g/mol, XLogP of 14.90, 9 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 161315410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).