About 2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(2-ethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(2-ethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine (PubChem CID 157055730) has the molecular formula C153H160N28S14
and a molecular weight of 2840.10 g/mol. Its IUPAC name is 2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(2-ethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine.
Frequently Asked Questions
What is the IUPAC name of 2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(2-ethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
The IUPAC name of 2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(2-ethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine (CID 157055730) is 2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(2-ethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(2-ethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(2-ethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine is CCC1NCCCC1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@@H]1NCCC[C@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@H]1NCCC[C@@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@H]1NCCC[C@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.c1cc(Nc2ccc3scnc3c2)c2cc(C3CCCN4CCCCC34)sc2n1.c1cc(Nc2ccc3scnc3c2)c2cc([C@@H]3CCCN4CCCCC34)sc2n1.c1cc(Nc2ccc3scnc3c2)c2cc([C@H]3CCCN4CCCCC34)sc2n1.
What is the InChIKey of 2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(2-ethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
The InChIKey is AASREFJMHYTUJT-IVVBUVRNSA-N. The full InChI is InChI=1S/3C23H24N4S2.4C21H22N4S2/c3*1-2-10-27-11-3-4-16(20(27)5-1)22-13-17-18(8-9-24-23(17)29-22)26-15-6-7-21-19(12-15)25-14-28-21;4*1-2-16-14(4-3-8-22-16)20-11-15-17(7-9-23-21(15)27-20)25-13-5-6-19-18(10-13)24-12-26-19/h3*6-9,12-14,16,20H,1-5,10-11H2,(H,24,26);4*5-7,9-12,14,16,22H,2-4,8H2,1H3,(H,23,25)/t2*16-,20?;;2*14-,16+;14-,16-;/m10.101./s1.
What are the key properties of 2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(2-ethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(2-ethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine has a molecular weight of 2840.10 g/mol, XLogP of 42.73, 25 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-ethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(2-ethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 157055730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).