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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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

C172H182N32S16 — CID 157291239

IUPAC2-[(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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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
SMILESCCC1C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1C.CCC1NCCCC1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@@H]1NCCC[C@@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@@H]1NCCC[C@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1C.CC[C@H]1NCCC[C@@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@H]1NCCC[C@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.c1cc(Nc2ccc3scnc3c2)c2cc([C@H]3CCCN4CCCCC34)sc2n1
InChIInChI=1S/C23H24N4S2.2C22H24N4S2.5C21H22N4S2/c1-2-10-27-11-3-4-16(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;2*1-3-19-15(5-4-10-26(19)2)21-12-16-17(8-9-23-22(16)28-21)25-14-6-7-20-18(11-14)24-13-27-20;5*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/h6-9,12-14,16,20H,1-5,10-11H2,(H,24,26);2*6-9,11-13,15,19H,3-5,10H2,1-2H3,(H,23,25);5*5-7,9-12,14,16,22H,2-4,8H2,1H3,(H,23,25)/t16-,20?;15-,19-;;2*14-,16+;2*14-,16-;/m01.1010./s1
InChIKeyBAVCKDAEKJTCML-KTUXCQPVSA-N
MW3210.64 g/mol
LogP48.33
Rot. Bonds31

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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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 157291239) has the molecular formula C172H182N32S16 and a molecular weight of 3210.64 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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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.

Molecular Properties

Compound Name2-[(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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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 CID157291239
Molecular FormulaC172H182N32S16
Molecular Weight3210.64 g/mol
Exact Mass3207.08
IUPAC Name2-[(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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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
SMILESCCC1C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1C.CCC1NCCCC1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@@H]1NCCC[C@@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@@H]1NCCC[C@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1C.CC[C@H]1NCCC[C@@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@H]1NCCC[C@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.c1cc(Nc2ccc3scnc3c2)c2cc([C@H]3CCCN4CCCCC34)sc2n1
InChIInChI=1S/C23H24N4S2.2C22H24N4S2.5C21H22N4S2/c1-2-10-27-11-3-4-16(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;2*1-3-19-15(5-4-10-26(19)2)21-12-16-17(8-9-23-22(16)28-21)25-14-6-7-20-18(11-14)24-13-27-20;5*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/h6-9,12-14,16,20H,1-5,10-11H2,(H,24,26);2*6-9,11-13,15,19H,3-5,10H2,1-2H3,(H,23,25);5*5-7,9-12,14,16,22H,2-4,8H2,1H3,(H,23,25)/t16-,20?;15-,19-;;2*14-,16+;2*14-,16-;/m01.1010./s1
InChIKeyBAVCKDAEKJTCML-KTUXCQPVSA-N
XLogP48.33
TPSA372.35 Ų
H-Bond Donors13
H-Bond Acceptors48
Rotatable Bonds31
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003210.64
LogP ≤ 548.33
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1048

Analyze 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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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 with MolForge

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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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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 157291239) 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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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 CCC1C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1C.CCC1NCCCC1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@@H]1NCCC[C@@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@@H]1NCCC[C@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1C.CC[C@H]1NCCC[C@@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.CC[C@H]1NCCC[C@H]1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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 BAVCKDAEKJTCML-KTUXCQPVSA-N. The full InChI is InChI=1S/C23H24N4S2.2C22H24N4S2.5C21H22N4S2/c1-2-10-27-11-3-4-16(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;2*1-3-19-15(5-4-10-26(19)2)21-12-16-17(8-9-23-22(16)28-21)25-14-6-7-20-18(11-14)24-13-27-20;5*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/h6-9,12-14,16,20H,1-5,10-11H2,(H,24,26);2*6-9,11-13,15,19H,3-5,10H2,1-2H3,(H,23,25);5*5-7,9-12,14,16,22H,2-4,8H2,1H3,(H,23,25)/t16-,20?;15-,19-;;2*14-,16+;2*14-,16-;/m01.1010./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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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 3210.64 g/mol, XLogP of 48.33, 31 rotatable bonds, 13 hydrogen bond donors, and 48 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;N-(1,3-benzothiazol-5-yl)-2-(2-ethyl-1-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-ethyl-1-methylpiperidin-3-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-[(2S,3S)-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 157291239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).