5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol

C90H121F3N24O3S4 — CID 158070912

About 5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol

5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol (PubChem CID 158070912) has the molecular formula C90H121F3N24O3S4 and a molecular weight of 1772.38 g/mol. Its IUPAC name is 5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol.

Molecular Properties

• Compound Name: 5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol
• PubChem CID: 158070912
• Molecular Formula: C90H121F3N24O3S4
• Molecular Weight: 1772.38 g/mol
• Exact Mass: 1770.89
• IUPAC Name: 5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol
• SMILES: CN(c1nnc(-c2ccc(-c3cnn(C)c3)cc2C(F)(F)F)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3cnn(C)c3)cc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-n3cccn3)cc2O)s1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-c2c(C)n[nH]c2C)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1
• InChI: InChI=1S/C24H34N6OS.C23H29F3N6S.C22H30N6OS.C21H28N6OS/c1-14-20(15(2)26-25-14)16-9-10-18(19(11-16)31-8)21-27-28-22(32-21)30(7)17-12-23(3,4)29-24(5,6)13-17;1-21(2)10-16(11-22(3,4)30-21)32(6)20-29-28-19(33-20)17-8-7-14(9-18(17)23(24,25)26)15-12-27-31(5)13-15;1-21(2)10-16(11-22(3,4)26-21)28(6)20-25-24-19(30-20)17-8-7-14(9-18(17)29)15-12-23-27(5)13-15;1-20(2)12-15(13-21(3,4)25-20)26(5)19-24-23-18(29-19)16-8-7-14(11-17(16)28)27-10-6-9-22-27/h9-11,17,29H,12-13H2,1-8H3,(H,25,26);7-9,12-13,16,30H,10-11H2,1-6H3;7-9,12-13,16,26,29H,10-11H2,1-6H3;6-11,15,25,28H,12-13H2,1-5H3
• InChIKey: FLUQTYATBKXIEN-UHFFFAOYSA-N
• XLogP: 18.23
• TPSA: 296.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1772.38
LogP ≤ 5	18.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol?

The IUPAC name of 5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol (CID 158070912) is 5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol.

What is the SMILES notation for 5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol?

The canonical SMILES for 5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol is CN(c1nnc(-c2ccc(-c3cnn(C)c3)cc2C(F)(F)F)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3cnn(C)c3)cc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-n3cccn3)cc2O)s1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-c2c(C)n[nH]c2C)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.

What is the InChIKey of 5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol?

The InChIKey is FLUQTYATBKXIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6OS.C23H29F3N6S.C22H30N6OS.C21H28N6OS/c1-14-20(15(2)26-25-14)16-9-10-18(19(11-16)31-8)21-27-28-22(32-21)30(7)17-12-23(3,4)29-24(5,6)13-17;1-21(2)10-16(11-22(3,4)30-21)32(6)20-29-28-19(33-20)17-8-7-14(9-18(17)23(24,25)26)15-12-27-31(5)13-15;1-21(2)10-16(11-22(3,4)26-21)28(6)20-25-24-19(30-20)17-8-7-14(9-18(17)29)15-12-23-27(5)13-15;1-20(2)12-15(13-21(3,4)25-20)26(5)19-24-23-18(29-19)16-8-7-14(11-17(16)28)27-10-6-9-22-27/h9-11,17,29H,12-13H2,1-8H3,(H,25,26);7-9,12-13,16,30H,10-11H2,1-6H3;7-9,12-13,16,26,29H,10-11H2,1-6H3;6-11,15,25,28H,12-13H2,1-5H3.

What are the key properties of 5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol?

5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol has a molecular weight of 1772.38 g/mol, XLogP of 18.23, 17 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol is sourced from PubChem (CID 158070912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).