About 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;2-[(2S,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2S,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-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;2-[(2S,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2S,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine (PubChem CID 157175359) has the molecular formula C180H196N32O6S16
and a molecular weight of 3416.84 g/mol. Its IUPAC name is 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;2-[(2S,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2S,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine.
Frequently Asked Questions
What is the IUPAC name of 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;2-[(2S,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2S,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
The IUPAC name of 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;2-[(2S,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2S,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine (CID 157175359) is 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;2-[(2S,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2S,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for 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;2-[(2S,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2S,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for 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;2-[(2S,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2S,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine is CC1C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCO.CCOCCN1CCC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@H]1C.C[C@@H]1[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCO.C[C@@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCO.C[C@H]1[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCO.C[C@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCO.c1cc(Nc2ccc3scnc3c2)c2cc(C3CCCN4CCCCC34)sc2n1.c1cc(Nc2ccc3scnc3c2)c2cc([C@@H]3CCCN4CCCCC34)sc2n1.
What is the InChIKey of 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;2-[(2S,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2S,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
The InChIKey is ANYCJVBLBFCRTQ-XWXDBIICSA-N. The full InChI is InChI=1S/C24H28N4OS2.2C23H24N4S2.5C22H24N4OS2/c1-3-29-12-11-28-10-4-5-18(16(28)2)23-14-19-20(8-9-25-24(19)31-23)27-17-6-7-22-21(13-17)26-15-30-22;2*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;5*1-14-16(3-2-8-26(14)9-10-27)21-12-17-18(6-7-23-22(17)29-21)25-15-4-5-20-19(11-15)24-13-28-20/h6-9,13-16,18H,3-5,10-12H2,1-2H3,(H,25,27);2*6-9,12-14,16,20H,1-5,10-11H2,(H,24,26);5*4-7,11-14,16,27H,2-3,8-10H2,1H3,(H,23,25)/t16-,18-;16-,20?;;2*14-,16+;2*14-,16-;/m01.1010./s1.
What are the key properties of 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;2-[(2S,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2S,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-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;2-[(2S,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2S,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine has a molecular weight of 3416.84 g/mol, XLogP of 45.07, 38 rotatable bonds, 13 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 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;2-[(2S,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2S,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[(2R,3S)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 157175359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).