4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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

C155H203ClF2N36O8S7 — CID 159404093

IUPAC4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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
SMILESCCc1ccn(-c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(OC)c2)n1.CN(c1nnc(-c2ccc(-c3ccn(C)c(=O)c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.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(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.[C-]#[N+]c1ccc2cc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(OC)cc2n1
InChIInChI=1S/C25H33N5O2S.C24H30ClN5OS.C24H34N6OS.C23H28N6OS.C20H27FN4O2S.C20H27N5OS.C19H24FN5S/c1-24(2)14-18(15-25(3,4)28-24)30(6)23-27-26-22(33-23)19-9-8-16(12-20(19)32-7)17-10-11-29(5)21(31)13-17;1-23(2)13-17(14-24(3,4)28-23)30(6)22-27-26-21(32-22)18-8-7-15(11-19(18)25)16-9-10-29(5)20(31)12-16;1-8-16-11-12-30(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;1-22(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;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/h8-13,18,28H,14-15H2,1-7H3;7-12,17,28H,13-14H2,1-6H3;9-13,18,28H,8,14-15H2,1-7H3;8-11,15,28H,12-13H2,1-4,6-7H3;7-9,13,24H,10-11H2,1-6H3;8-10,14,24H,11-12H2,1-4,6-7H3;7-9,13,24H,10-11H2,1-4,6H3
InChIKeyLNSOIALBRZGUOB-UHFFFAOYSA-N
MW2996.49 g/mol
LogP32.09
Rot. Bonds30

About 4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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

4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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 159404093) has the molecular formula C155H203ClF2N36O8S7 and a molecular weight of 2996.49 g/mol. Its IUPAC name is 4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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 Name4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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 CID159404093
Molecular FormulaC155H203ClF2N36O8S7
Molecular Weight2996.49 g/mol
Exact Mass2993.43
IUPAC Name4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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
SMILESCCc1ccn(-c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(OC)c2)n1.CN(c1nnc(-c2ccc(-c3ccn(C)c(=O)c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.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(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.[C-]#[N+]c1ccc2cc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(OC)cc2n1
InChIInChI=1S/C25H33N5O2S.C24H30ClN5OS.C24H34N6OS.C23H28N6OS.C20H27FN4O2S.C20H27N5OS.C19H24FN5S/c1-24(2)14-18(15-25(3,4)28-24)30(6)23-27-26-22(33-23)19-9-8-16(12-20(19)32-7)17-10-11-29(5)21(31)13-17;1-23(2)13-17(14-24(3,4)28-23)30(6)22-27-26-21(32-22)18-8-7-15(11-19(18)25)16-9-10-29(5)20(31)12-16;1-8-16-11-12-30(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;1-22(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;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/h8-13,18,28H,14-15H2,1-7H3;7-12,17,28H,13-14H2,1-6H3;9-13,18,28H,8,14-15H2,1-7H3;8-11,15,28H,12-13H2,1-4,6-7H3;7-9,13,24H,10-11H2,1-6H3;8-10,14,24H,11-12H2,1-4,6-7H3;7-9,13,24H,10-11H2,1-4,6H3
InChIKeyLNSOIALBRZGUOB-UHFFFAOYSA-N
XLogP32.09
TPSA438.36 Ų
H-Bond Donors7
H-Bond Acceptors48
Rotatable Bonds30
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002996.49
LogP ≤ 532.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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 4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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 159404093) is 4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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 4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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 4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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.CN(c1nnc(-c2ccc(-c3ccn(C)c(=O)c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.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(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.[C-]#[N+]c1ccc2cc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(OC)cc2n1.
What is the InChIKey of 4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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 LNSOIALBRZGUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2S.C24H30ClN5OS.C24H34N6OS.C23H28N6OS.C20H27FN4O2S.C20H27N5OS.C19H24FN5S/c1-24(2)14-18(15-25(3,4)28-24)30(6)23-27-26-22(33-23)19-9-8-16(12-20(19)32-7)17-10-11-29(5)21(31)13-17;1-23(2)13-17(14-24(3,4)28-23)30(6)22-27-26-21(32-22)18-8-7-15(11-19(18)25)16-9-10-29(5)20(31)12-16;1-8-16-11-12-30(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;1-22(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;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/h8-13,18,28H,14-15H2,1-7H3;7-12,17,28H,13-14H2,1-6H3;9-13,18,28H,8,14-15H2,1-7H3;8-11,15,28H,12-13H2,1-4,6-7H3;7-9,13,24H,10-11H2,1-6H3;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 4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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?
4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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 2996.49 g/mol, XLogP of 32.09, 30 rotatable bonds, 7 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;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-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-(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-[methyl-(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 159404093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).