5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol

C43H56N10O2S2 — CID 157118651

About 5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol

5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol (PubChem CID 157118651) has the molecular formula C43H56N10O2S2 and a molecular weight of 809.12 g/mol. Its IUPAC name is 5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol.

Molecular Properties

• Compound Name: 5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol
• PubChem CID: 157118651
• Molecular Formula: C43H56N10O2S2
• Molecular Weight: 809.12 g/mol
• Exact Mass: 808.40
• IUPAC Name: 5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol
• SMILES: CN(c1nnc(-c2cc3cccnc3cc2O)s1)C1CC(C)(C)NC(C)(C)C1.COc1cc2ncccc2cc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1
• InChI: InChI=1S/C22H29N5OS.C21H27N5OS/c1-21(2)12-15(13-22(3,4)26-21)27(5)20-25-24-19(29-20)16-10-14-8-7-9-23-17(14)11-18(16)28-6;1-20(2)11-14(12-21(3,4)25-20)26(5)19-24-23-18(28-19)15-9-13-7-6-8-22-16(13)10-17(15)27/h7-11,15,26H,12-13H2,1-6H3;6-10,14,25,27H,11-12H2,1-5H3
• InChIKey: AHRSUDMTAPPKLG-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 137.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	809.12
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol?

The IUPAC name of 5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol (CID 157118651) is 5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol.

What is the SMILES notation for 5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol?

The canonical SMILES for 5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol is CN(c1nnc(-c2cc3cccnc3cc2O)s1)C1CC(C)(C)NC(C)(C)C1.COc1cc2ncccc2cc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.

What is the InChIKey of 5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol?

The InChIKey is AHRSUDMTAPPKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5OS.C21H27N5OS/c1-21(2)12-15(13-22(3,4)26-21)27(5)20-25-24-19(29-20)16-10-14-8-7-9-23-17(14)11-18(16)28-6;1-20(2)11-14(12-21(3,4)25-20)26(5)19-24-23-18(28-19)15-9-13-7-6-8-22-16(13)10-17(15)27/h7-11,15,26H,12-13H2,1-6H3;6-10,14,25,27H,11-12H2,1-5H3.

What are the key properties of 5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol?

5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol has a molecular weight of 809.12 g/mol, XLogP of 8.71, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinolin-7-ol is sourced from PubChem (CID 157118651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).