5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

C90H121N21O4S4 — CID 160809041

About 5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 160809041) has the molecular formula C90H121N21O4S4 and a molecular weight of 1689.37 g/mol. Its IUPAC name is 5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
• PubChem CID: 160809041
• Molecular Formula: C90H121N21O4S4
• Molecular Weight: 1689.37 g/mol
• Exact Mass: 1687.88
• IUPAC Name: 5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
• SMILES: COc1cc(-c2cnn(C)c2)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.COc1cc(-n2cccn2)ccc1-c1nnc(NC2CC(C)(C)N(C)C(C)(C)C2)s1.COc1cc2ccccc2cc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.COc1nc2ccccc2cc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1
• InChI: InChI=1S/C23H32N6OS.C23H30N4OS.C22H30N6OS.C22H29N5OS/c1-22(2)11-17(12-23(3,4)27-22)29(6)21-26-25-20(31-21)18-9-8-15(10-19(18)30-7)16-13-24-28(5)14-16;1-22(2)13-17(14-23(3,4)26-22)27(5)21-25-24-20(29-21)18-11-15-9-7-8-10-16(15)12-19(18)28-6;1-21(2)13-15(14-22(3,4)27(21)5)24-20-26-25-19(30-20)17-9-8-16(12-18(17)29-6)28-11-7-10-23-28;1-21(2)12-15(13-22(3,4)26-21)27(5)20-25-24-19(29-20)16-11-14-9-7-8-10-17(14)23-18(16)28-6/h8-10,13-14,17,27H,11-12H2,1-7H3;7-12,17,26H,13-14H2,1-6H3;7-12,15H,13-14H2,1-6H3,(H,24,26);7-11,15,26H,12-13H2,1-6H3
• InChIKey: SEBPOHNHNICRBI-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 249.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1689.37
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?

The IUPAC name of 5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 160809041) is 5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is COc1cc(-c2cnn(C)c2)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.COc1cc(-n2cccn2)ccc1-c1nnc(NC2CC(C)(C)N(C)C(C)(C)C2)s1.COc1cc2ccccc2cc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.COc1nc2ccccc2cc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.

What is the InChIKey of 5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?

The InChIKey is SEBPOHNHNICRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6OS.C23H30N4OS.C22H30N6OS.C22H29N5OS/c1-22(2)11-17(12-23(3,4)27-22)29(6)21-26-25-20(31-21)18-9-8-15(10-19(18)30-7)16-13-24-28(5)14-16;1-22(2)13-17(14-23(3,4)26-22)27(5)21-25-24-20(29-21)18-11-15-9-7-8-10-16(15)12-19(18)28-6;1-21(2)13-15(14-22(3,4)27(21)5)24-20-26-25-19(30-20)17-9-8-16(12-18(17)29-6)28-11-7-10-23-28;1-21(2)12-15(13-22(3,4)26-21)27(5)20-25-24-19(29-20)16-11-14-9-7-8-10-17(14)23-18(16)28-6/h8-10,13-14,17,27H,11-12H2,1-7H3;7-12,17,26H,13-14H2,1-6H3;7-12,15H,13-14H2,1-6H3,(H,24,26);7-11,15,26H,12-13H2,1-6H3.

What are the key properties of 5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?

5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 1689.37 g/mol, XLogP of 18.44, 18 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(3-methoxynaphthalen-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxyquinolin-3-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 160809041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).