5-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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

C82H107FN20O3S4 — CID 162256817

About 5-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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 162256817) has the molecular formula C82H107FN20O3S4 and a molecular weight of 1568.16 g/mol. Its IUPAC name is 5-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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: 162256817
• Molecular Formula: C82H107FN20O3S4
• Molecular Weight: 1568.16 g/mol
• Exact Mass: 1566.77
• IUPAC Name: 5-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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.[C-]#[N+]c1ccc(-c2nnc(N(C)C3CC(C)(C)NC(C)(C)C3)s2)c(F)c1.[C-]#[N+]c1ccc(-c2nnc(N(C)C3CC(C)(C)NC(C)(C)C3)s2)c(OC)c1
• InChI: InChI=1S/C22H29N5OS.C21H27N5OS.C20H27N5OS.C19H24FN5S/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;1-19(2)11-14(12-20(3,4)24-19)25(6)18-23-22-17(27-18)15-9-8-13(21-5)10-16(15)26-7;1-18(2)10-13(11-19(3,4)24-18)25(6)17-23-22-16(26-17)14-8-7-12(21-5)9-15(14)20/h7-11,15,26H,12-13H2,1-6H3;6-10,14,25,27H,11-12H2,1-5H3;8-10,14,24H,11-12H2,1-4,6-7H3;7-9,13,24H,10-11H2,1-4,6H3
• InChIKey: ZYRYCKDTDJEXME-UHFFFAOYSA-N
• XLogP: 17.86
• TPSA: 237.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1568.16
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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 162256817) is 5-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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.[C-]#[N+]c1ccc(-c2nnc(N(C)C3CC(C)(C)NC(C)(C)C3)s2)c(F)c1.[C-]#[N+]c1ccc(-c2nnc(N(C)C3CC(C)(C)NC(C)(C)C3)s2)c(OC)c1.

What is the InChIKey of 5-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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 ZYRYCKDTDJEXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5OS.C21H27N5OS.C20H27N5OS.C19H24FN5S/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;1-19(2)11-14(12-20(3,4)24-19)25(6)18-23-22-17(27-18)15-9-8-13(21-5)10-16(15)26-7;1-18(2)10-13(11-19(3,4)24-18)25(6)17-23-22-16(26-17)14-8-7-12(21-5)9-15(14)20/h7-11,15,26H,12-13H2,1-6H3;6-10,14,25,27H,11-12H2,1-5H3;8-10,14,24H,11-12H2,1-4,6-7H3;7-9,13,24H,10-11H2,1-4,6H3.

What are the key properties of 5-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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 1568.16 g/mol, XLogP of 17.86, 14 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-fluoro-4-isocyanophenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(4-isocyano-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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 162256817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).