N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine

C105H104F4N20OS10 — CID 157386681

About N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine

N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine (PubChem CID 157386681) has the molecular formula C105H104F4N20OS10 and a molecular weight of 2058.79 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
• PubChem CID: 157386681
• Molecular Formula: C105H104F4N20OS10
• Molecular Weight: 2058.79 g/mol
• Exact Mass: 2056.58
• IUPAC Name: N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
• SMILES: CCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4F)ccnc3s2)[C@H]1C.COCCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@H]1C.C[C@H]1NCCC=C1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.C[C@H]1NCCC[C@H]1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.C[C@H]1NCCC[C@H]1c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1
• InChI: InChI=1S/C23H26N4OS2.C22H23FN4S2.C20H18F2N4S2.C20H19FN4S2.C20H18N4S2/c1-15-17(4-3-9-27(15)10-11-28-2)22-13-18-19(7-8-24-23(18)30-22)26-16-5-6-21-20(12-16)25-14-29-21;1-3-27-10-4-5-14(13(27)2)19-11-15-16(8-9-24-22(15)29-19)26-17-6-7-18-21(20(17)23)25-12-28-18;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;1-11-12(3-2-5-22-11)18-7-13-15(4-6-23-20(13)27-18)25-16-9-17-19(8-14(16)21)26-10-24-17;1-12-14(3-2-7-21-12)19-10-15-16(6-8-22-20(15)26-19)24-13-4-5-18-17(9-13)23-11-25-18/h5-8,12-15,17H,3-4,9-11H2,1-2H3,(H,24,26);6-9,11-14H,3-5,10H2,1-2H3,(H,24,26);4,6-11,23H,2-3,5H2,1H3,(H,24,26);4,6-12,22H,2-3,5H2,1H3,(H,23,25);3-6,8-12,21H,2,7H2,1H3,(H,22,24)/t15-,17-;13-,14-;10-,11-;11-,12-;12-/m11111/s1
• InChIKey: BLNCSTXCMQMUAE-QYUKKKGBSA-N
• XLogP: 29.08
• TPSA: 240.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2058.79
LogP ≤ 5	29.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?

The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine (CID 157386681) is N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine.

What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?

The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine is CCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4F)ccnc3s2)[C@H]1C.COCCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@H]1C.C[C@H]1NCCC=C1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.C[C@H]1NCCC[C@H]1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.C[C@H]1NCCC[C@H]1c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1.

What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?

The InChIKey is BLNCSTXCMQMUAE-QYUKKKGBSA-N. The full InChI is InChI=1S/C23H26N4OS2.C22H23FN4S2.C20H18F2N4S2.C20H19FN4S2.C20H18N4S2/c1-15-17(4-3-9-27(15)10-11-28-2)22-13-18-19(7-8-24-23(18)30-22)26-16-5-6-21-20(12-16)25-14-29-21;1-3-27-10-4-5-14(13(27)2)19-11-15-16(8-9-24-22(15)29-19)26-17-6-7-18-21(20(17)23)25-12-28-18;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;1-11-12(3-2-5-22-11)18-7-13-15(4-6-23-20(13)27-18)25-16-9-17-19(8-14(16)21)26-10-24-17;1-12-14(3-2-7-21-12)19-10-15-16(6-8-22-20(15)26-19)24-13-4-5-18-17(9-13)23-11-25-18/h5-8,12-15,17H,3-4,9-11H2,1-2H3,(H,24,26);6-9,11-14H,3-5,10H2,1-2H3,(H,24,26);4,6-11,23H,2-3,5H2,1H3,(H,24,26);4,6-12,22H,2-3,5H2,1H3,(H,23,25);3-6,8-12,21H,2,7H2,1H3,(H,22,24)/t15-,17-;13-,14-;10-,11-;11-,12-;12-/m11111/s1.

What are the key properties of N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?

N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine has a molecular weight of 2058.79 g/mol, XLogP of 29.08, 19 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-amine;4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;N-[2-[(2R,3R)-1-ethyl-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-4-fluoro-1,3-benzothiazol-5-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 157386681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).