2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol

C105H94FN21O10S7 — CID 159649098

About 2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol

2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol (PubChem CID 159649098) has the molecular formula C105H94FN21O10S7 and a molecular weight of 2053.51 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol.

Molecular Properties

• Compound Name: 2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol
• PubChem CID: 159649098
• Molecular Formula: C105H94FN21O10S7
• Molecular Weight: 2053.51 g/mol
• Exact Mass: 2051.55
• IUPAC Name: 2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol
• SMILES: CN(C)c1ccc(-c2nc3ccc(O)cc3s2)nc1.COc1ccc2nc(-c3ccc(C(N)=O)nc3)sc2c1.COc1ccc2nc(-c3ccc(N4CCOCC4)nc3)sc2c1.Fc1ccc2nc(-c3ccc(N4CCOCC4)nc3)sc2c1.Nc1ccc(-c2nc3ccc(O)cc3s2)cn1.Oc1ccc2nc(-c3ccc(N4CCOCC4)nc3)sc2c1.c1ccc2sc(-c3ccc(N4CCOCC4)nc3)nc2c1
• InChI: InChI=1S/C17H17N3O2S.C16H14FN3OS.C16H15N3O2S.C16H15N3OS.C14H11N3O2S.C14H13N3OS.C12H9N3OS/c1-21-13-3-4-14-15(10-13)23-17(19-14)12-2-5-16(18-11-12)20-6-8-22-9-7-20;17-12-2-3-13-14(9-12)22-16(19-13)11-1-4-15(18-10-11)20-5-7-21-8-6-20;20-12-2-3-13-14(9-12)22-16(18-13)11-1-4-15(17-10-11)19-5-7-21-8-6-19;1-2-4-14-13(3-1)18-16(21-14)12-5-6-15(17-11-12)19-7-9-20-10-8-19;1-19-9-3-5-10-12(6-9)20-14(17-10)8-2-4-11(13(15)18)16-7-8;1-17(2)9-3-5-12(15-8-9)14-16-11-6-4-10(18)7-13(11)19-14;13-11-4-1-7(6-14-11)12-15-9-3-2-8(16)5-10(9)17-12/h2-5,10-11H,6-9H2,1H3;1-4,9-10H,5-8H2;1-4,9-10,20H,5-8H2;1-6,11H,7-10H2;2-7H,1H3,(H2,15,18);3-8,18H,1-2H3;1-6,16H,(H2,13,14)
• InChIKey: MRIKLMUBLUXJPA-UHFFFAOYSA-N
• XLogP: 20.87
• TPSA: 381.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 15
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2053.51
LogP ≤ 5	20.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol?

The IUPAC name of 2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol (CID 159649098) is 2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol.

What is the SMILES notation for 2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol?

The canonical SMILES for 2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol is CN(C)c1ccc(-c2nc3ccc(O)cc3s2)nc1.COc1ccc2nc(-c3ccc(C(N)=O)nc3)sc2c1.COc1ccc2nc(-c3ccc(N4CCOCC4)nc3)sc2c1.Fc1ccc2nc(-c3ccc(N4CCOCC4)nc3)sc2c1.Nc1ccc(-c2nc3ccc(O)cc3s2)cn1.Oc1ccc2nc(-c3ccc(N4CCOCC4)nc3)sc2c1.c1ccc2sc(-c3ccc(N4CCOCC4)nc3)nc2c1.

What is the InChIKey of 2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol?

The InChIKey is MRIKLMUBLUXJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S.C16H14FN3OS.C16H15N3O2S.C16H15N3OS.C14H11N3O2S.C14H13N3OS.C12H9N3OS/c1-21-13-3-4-14-15(10-13)23-17(19-14)12-2-5-16(18-11-12)20-6-8-22-9-7-20;17-12-2-3-13-14(9-12)22-16(19-13)11-1-4-15(18-10-11)20-5-7-21-8-6-20;20-12-2-3-13-14(9-12)22-16(18-13)11-1-4-15(17-10-11)19-5-7-21-8-6-19;1-2-4-14-13(3-1)18-16(21-14)12-5-6-15(17-11-12)19-7-9-20-10-8-19;1-19-9-3-5-10-12(6-9)20-14(17-10)8-2-4-11(13(15)18)16-7-8;1-17(2)9-3-5-12(15-8-9)14-16-11-6-4-10(18)7-13(11)19-14;13-11-4-1-7(6-14-11)12-15-9-3-2-8(16)5-10(9)17-12/h2-5,10-11H,6-9H2,1H3;1-4,9-10H,5-8H2;1-4,9-10,20H,5-8H2;1-6,11H,7-10H2;2-7H,1H3,(H2,15,18);3-8,18H,1-2H3;1-6,16H,(H2,13,14).

What are the key properties of 2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol?

2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol has a molecular weight of 2053.51 g/mol, XLogP of 20.87, 15 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-amino-3-pyridinyl)-1,3-benzothiazol-6-ol;4-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-[5-(dimethylamino)-2-pyridinyl]-1,3-benzothiazol-6-ol;4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;2-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 159649098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).