3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one

C149H187ClN34O9S7 — CID 158055349

IUPAC3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one
SMILESCN(c1nnc(-c2cc(-n3cccn3)ccc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3ccc(O)cc3cc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3ccccc3[nH]c2=O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3ccccc3cc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3ccc(=O)[nH]c3)cc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3cnn(C)c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.Oc1ccc2cc(-c3nnc(N4C[C@H]5CNC[C@H]5C4)s3)c(O)cc2c1
InChIInChI=1S/C23H29N5O2S.C22H29ClN6S.C22H28N4O2S.C22H28N4OS.C21H28N6OS.C21H27N5OS.C18H18N4O2S/c1-22(2)11-16(12-23(3,4)27-22)28(5)21-26-25-20(31-21)17-8-6-14(10-18(17)29)15-7-9-19(30)24-13-15;1-21(2)10-16(11-22(3,4)27-21)29(6)20-26-25-19(30-20)17-8-7-14(9-18(17)23)15-12-24-28(5)13-15;1-21(2)11-15(12-22(3,4)25-21)26(5)20-24-23-19(29-20)17-9-13-6-7-16(27)8-14(13)10-18(17)28;1-21(2)12-16(13-22(3,4)25-21)26(5)20-24-23-19(28-20)17-10-14-8-6-7-9-15(14)11-18(17)27;1-20(2)12-15(13-21(3,4)25-20)26(5)19-24-23-18(29-19)16-11-14(7-8-17(16)28)27-10-6-9-22-27;1-20(2)11-14(12-21(3,4)25-20)26(5)19-24-23-18(28-19)15-10-13-8-6-7-9-16(13)22-17(15)27;23-14-2-1-10-4-15(16(24)5-11(10)3-14)17-20-21-18(25-17)22-8-12-6-19-7-13(12)9-22/h6-10,13,16,27,29H,11-12H2,1-5H3,(H,24,30);7-9,12-13,16,27H,10-11H2,1-6H3;6-10,15,25,27-28H,11-12H2,1-5H3;6-11,16,25,27H,12-13H2,1-5H3;6-11,15,25,28H,12-13H2,1-5H3;6-10,14,25H,11-12H2,1-5H3,(H,22,27);1-5,12-13,19,23-24H,6-9H2/t;;;;;;12-,13+
InChIKeyFJZDZLLMYVNPFZ-IJYRKHQESA-N
MW2858.29 g/mol
LogP28.40
Rot. Bonds23

About 3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one

3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one (PubChem CID 158055349) has the molecular formula C149H187ClN34O9S7 and a molecular weight of 2858.29 g/mol. Its IUPAC name is 3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one
PubChem CID158055349
Molecular FormulaC149H187ClN34O9S7
Molecular Weight2858.29 g/mol
Exact Mass2855.30
IUPAC Name3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one
SMILESCN(c1nnc(-c2cc(-n3cccn3)ccc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3ccc(O)cc3cc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3ccccc3[nH]c2=O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3ccccc3cc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3ccc(=O)[nH]c3)cc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3cnn(C)c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.Oc1ccc2cc(-c3nnc(N4C[C@H]5CNC[C@H]5C4)s3)c(O)cc2c1
InChIInChI=1S/C23H29N5O2S.C22H29ClN6S.C22H28N4O2S.C22H28N4OS.C21H28N6OS.C21H27N5OS.C18H18N4O2S/c1-22(2)11-16(12-23(3,4)27-22)28(5)21-26-25-20(31-21)17-8-6-14(10-18(17)29)15-7-9-19(30)24-13-15;1-21(2)10-16(11-22(3,4)27-21)29(6)20-26-25-19(30-20)17-8-7-14(9-18(17)23)15-12-24-28(5)13-15;1-21(2)11-15(12-22(3,4)25-21)26(5)20-24-23-19(29-20)17-9-13-6-7-16(27)8-14(13)10-18(17)28;1-21(2)12-16(13-22(3,4)25-21)26(5)20-24-23-19(28-20)17-10-14-8-6-7-9-15(14)11-18(17)27;1-20(2)12-15(13-21(3,4)25-20)26(5)19-24-23-18(29-19)16-11-14(7-8-17(16)28)27-10-6-9-22-27;1-20(2)11-14(12-21(3,4)25-20)26(5)19-24-23-18(28-19)15-10-13-8-6-7-9-16(13)22-17(15)27;23-14-2-1-10-4-15(16(24)5-11(10)3-14)17-20-21-18(25-17)22-8-12-6-19-7-13(12)9-22/h6-10,13,16,27,29H,11-12H2,1-5H3,(H,24,30);7-9,12-13,16,27H,10-11H2,1-6H3;6-10,15,25,27-28H,11-12H2,1-5H3;6-11,16,25,27H,12-13H2,1-5H3;6-11,15,25,28H,12-13H2,1-5H3;6-10,14,25H,11-12H2,1-5H3,(H,22,27);1-5,12-13,19,23-24H,6-9H2/t;;;;;;12-,13+
InChIKeyFJZDZLLMYVNPFZ-IJYRKHQESA-N
XLogP28.40
TPSA530.32 Ų
H-Bond Donors16
H-Bond Acceptors48
Rotatable Bonds23
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002858.29
LogP ≤ 528.40
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1048

Analyze 3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]thiophen-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one
CID 159148987
3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one
CID 162067540

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one (CID 158055349) is 3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one is CN(c1nnc(-c2cc(-n3cccn3)ccc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3ccc(O)cc3cc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3ccccc3[nH]c2=O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3ccccc3cc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3ccc(=O)[nH]c3)cc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3cnn(C)c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.Oc1ccc2cc(-c3nnc(N4C[C@H]5CNC[C@H]5C4)s3)c(O)cc2c1.
What is the InChIKey of 3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one?
The InChIKey is FJZDZLLMYVNPFZ-IJYRKHQESA-N. The full InChI is InChI=1S/C23H29N5O2S.C22H29ClN6S.C22H28N4O2S.C22H28N4OS.C21H28N6OS.C21H27N5OS.C18H18N4O2S/c1-22(2)11-16(12-23(3,4)27-22)28(5)21-26-25-20(31-21)17-8-6-14(10-18(17)29)15-7-9-19(30)24-13-15;1-21(2)10-16(11-22(3,4)27-21)29(6)20-26-25-19(30-20)17-8-7-14(9-18(17)23)15-12-24-28(5)13-15;1-21(2)11-15(12-22(3,4)25-21)26(5)20-24-23-19(29-20)17-9-13-6-7-16(27)8-14(13)10-18(17)28;1-21(2)12-16(13-22(3,4)25-21)26(5)20-24-23-19(28-20)17-10-14-8-6-7-9-15(14)11-18(17)27;1-20(2)12-15(13-21(3,4)25-20)26(5)19-24-23-18(29-19)16-11-14(7-8-17(16)28)27-10-6-9-22-27;1-20(2)11-14(12-21(3,4)25-20)26(5)19-24-23-18(28-19)15-10-13-8-6-7-9-16(13)22-17(15)27;23-14-2-1-10-4-15(16(24)5-11(10)3-14)17-20-21-18(25-17)22-8-12-6-19-7-13(12)9-22/h6-10,13,16,27,29H,11-12H2,1-5H3,(H,24,30);7-9,12-13,16,27H,10-11H2,1-6H3;6-10,15,25,27-28H,11-12H2,1-5H3;6-11,16,25,27H,12-13H2,1-5H3;6-11,15,25,28H,12-13H2,1-5H3;6-10,14,25H,11-12H2,1-5H3,(H,22,27);1-5,12-13,19,23-24H,6-9H2/t;;;;;;12-,13+.
What are the key properties of 3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one?
3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one has a molecular weight of 2858.29 g/mol, XLogP of 28.40, 23 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 158055349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).