About 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
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 (PubChem CID 159148987) has the molecular formula C106H132ClN23O5S5
and a molecular weight of 2004.17 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]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.
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]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?
The IUPAC name of 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) is 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.
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]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?
The canonical SMILES for 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 is CN(c1nnc(-c2cc(-n3cccn3)ccc2O)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(-c3cnn(C)c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.Oc1ccc2cc(-c3ccc(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]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?
The InChIKey is KJASEQLOYFVINZ-VDGIHCRZSA-N. The full InChI is InChI=1S/C22H29ClN6S.C22H28N4OS.C21H28N6OS.C21H27N5OS.C20H20N2O2S/c1-21(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)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;23-16-2-1-12-6-17(18(24)7-13(12)5-16)19-3-4-20(25-19)22-10-14-8-21-9-15(14)11-22/h7-9,12-13,16,27H,10-11H2,1-6H3;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);1-7,14-15,21,23-24H,8-11H2/t;;;;14-,15+.
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]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?
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 has a molecular weight of 2004.17 g/mol, XLogP of 21.08, 16 rotatable bonds, 10 hydrogen bond donors, and 32 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]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 is sourced from PubChem (CID 159148987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).