5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate

C91H120FN21O6S4 — CID 159125189

About 5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate

5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate (PubChem CID 159125189) has the molecular formula C91H120FN21O6S4 and a molecular weight of 1751.37 g/mol. Its IUPAC name is 5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate.

Molecular Properties

• Compound Name: 5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate
• PubChem CID: 159125189
• Molecular Formula: C91H120FN21O6S4
• Molecular Weight: 1751.37 g/mol
• Exact Mass: 1749.86
• IUPAC Name: 5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate
• SMILES: CCc1ccn(-c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(OC)c2)n1.COC(=O)c1ccc(-c2nnc(N(C)C3CC(C)(C)NC(C)(C)C3)s2)c(F)c1.COc1cc(-c2ccn(C)c(=O)c2)ccc1-c1nnc(NC2CC(C)(C)NC(C)(C)C2)s1.[C-]#[N+]c1ccc2cc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(OC)cc2n1
• InChI: InChI=1S/C24H34N6OS.C24H31N5O2S.C23H28N6OS.C20H27FN4O2S/c1-8-16-11-12-30(27-16)17-9-10-19(20(13-17)31-7)21-25-26-22(32-21)29(6)18-14-23(2,3)28-24(4,5)15-18;1-23(2)13-17(14-24(3,4)28-23)25-22-27-26-21(32-22)18-8-7-15(11-19(18)31-6)16-9-10-29(5)20(30)12-16;1-22(2)12-15(13-23(3,4)28-22)29(6)21-27-26-20(31-21)16-10-14-8-9-19(24-5)25-17(14)11-18(16)30-7;1-19(2)10-13(11-20(3,4)24-19)25(5)18-23-22-16(28-18)14-8-7-12(9-15(14)21)17(26)27-6/h9-13,18,28H,8,14-15H2,1-7H3;7-12,17,28H,13-14H2,1-6H3,(H,25,27);8-11,15,28H,12-13H2,1-4,6-7H3;7-9,13,24H,10-11H2,1-6H3
• InChIKey: KGELVIBTFCEVMW-UHFFFAOYSA-N
• XLogP: 17.94
• TPSA: 284.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1751.37
LogP ≤ 5	17.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate?

The IUPAC name of 5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate (CID 159125189) is 5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate.

What is the SMILES notation for 5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate?

The canonical SMILES for 5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate is CCc1ccn(-c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(OC)c2)n1.COC(=O)c1ccc(-c2nnc(N(C)C3CC(C)(C)NC(C)(C)C3)s2)c(F)c1.COc1cc(-c2ccn(C)c(=O)c2)ccc1-c1nnc(NC2CC(C)(C)NC(C)(C)C2)s1.[C-]#[N+]c1ccc2cc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(OC)cc2n1.

What is the InChIKey of 5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate?

The InChIKey is KGELVIBTFCEVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6OS.C24H31N5O2S.C23H28N6OS.C20H27FN4O2S/c1-8-16-11-12-30(27-16)17-9-10-19(20(13-17)31-7)21-25-26-22(32-21)29(6)18-14-23(2,3)28-24(4,5)15-18;1-23(2)13-17(14-24(3,4)28-23)25-22-27-26-21(32-22)18-8-7-15(11-19(18)31-6)16-9-10-29(5)20(30)12-16;1-22(2)12-15(13-23(3,4)28-22)29(6)21-27-26-20(31-21)16-10-14-8-9-19(24-5)25-17(14)11-18(16)30-7;1-19(2)10-13(11-20(3,4)24-19)25(5)18-23-22-16(28-18)14-8-7-12(9-15(14)21)17(26)27-6/h9-13,18,28H,8,14-15H2,1-7H3;7-12,17,28H,13-14H2,1-6H3,(H,25,27);8-11,15,28H,12-13H2,1-4,6-7H3;7-9,13,24H,10-11H2,1-6H3.

What are the key properties of 5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate?

5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate has a molecular weight of 1751.37 g/mol, XLogP of 17.94, 19 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(3-ethylpyrazol-1-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-isocyano-7-methoxyquinolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;4-[3-methoxy-4-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;methyl 3-fluoro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzoate is sourced from PubChem (CID 159125189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).