About 4,6-difluoro-N-[2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6R)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-(1,2-dimethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1,2-dimethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine
4,6-difluoro-N-[2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6R)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-(1,2-dimethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1,2-dimethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine (PubChem CID 157216046) has the molecular formula C145H130F14N28S14
and a molecular weight of 2979.74 g/mol. Its IUPAC name is 4,6-difluoro-N-[2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6R)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-(1,2-dimethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1,2-dimethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine.
Frequently Asked Questions
What is the IUPAC name of 4,6-difluoro-N-[2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6R)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-(1,2-dimethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1,2-dimethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine?
The IUPAC name of 4,6-difluoro-N-[2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6R)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-(1,2-dimethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1,2-dimethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine (CID 157216046) is 4,6-difluoro-N-[2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6R)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-(1,2-dimethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1,2-dimethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine.
What is the SMILES notation for 4,6-difluoro-N-[2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6R)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-(1,2-dimethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1,2-dimethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine?
The canonical SMILES for 4,6-difluoro-N-[2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6R)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-(1,2-dimethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1,2-dimethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine is CC1C(c2cc3c(Nc4c(F)cc5scnc5c4F)ccnc3s2)=CCCN1C.CC1C(c2cc3c(Nc4c(F)cc5scnc5c4F)ccnc3s2)CCCN1C.C[C@@H]1C(c2cc3c(Nc4c(F)cc5scnc5c4F)ccnc3s2)=CCCN1C.C[C@@H]1NCCC[C@@H]1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.C[C@@H]1[C@H](c2cc3c(Nc4c(F)cc5scnc5c4F)ccnc3s2)CCCN1C.C[C@H]1C(c2cc3c(Nc4c(F)cc5scnc5c4F)ccnc3s2)=CCCN1C.C[C@H]1NCCC[C@@H]1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.
What is the InChIKey of 4,6-difluoro-N-[2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6R)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-(1,2-dimethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1,2-dimethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine?
The InChIKey is ASKSUDJFGASMCE-JJJBQUNFSA-N. The full InChI is InChI=1S/2C21H20F2N4S2.3C21H18F2N4S2.2C20H18F2N4S2/c5*1-11-12(4-3-7-27(11)2)16-8-13-15(5-6-24-21(13)29-16)26-19-14(22)9-17-20(18(19)23)25-10-28-17;2*1-10-11(3-2-5-23-10)15-7-12-14(4-6-24-20(12)28-15)26-18-13(21)8-16-19(17(18)22)25-9-27-16/h2*5-6,8-12H,3-4,7H2,1-2H3,(H,24,26);3*4-6,8-11H,3,7H2,1-2H3,(H,24,26);2*4,6-11,23H,2-3,5H2,1H3,(H,24,26)/t11-,12-;;2*11-;;10-,11+;10-,11-/m1.10.10/s1.
What are the key properties of 4,6-difluoro-N-[2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6R)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-(1,2-dimethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1,2-dimethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine?
4,6-difluoro-N-[2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6R)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-(1,2-dimethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1,2-dimethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine has a molecular weight of 2979.74 g/mol, XLogP of 41.92, 21 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-[2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(6R)-1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-(1,2-dimethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1,2-dimethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine is sourced from PubChem (CID 157216046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).