2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol

C91H81N25O8S7 — CID 161380682

About 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol

2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol (PubChem CID 161380682) has the molecular formula C91H81N25O8S7 and a molecular weight of 1877.28 g/mol. Its IUPAC name is 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol.

Molecular Properties

• Compound Name: 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol
• PubChem CID: 161380682
• Molecular Formula: C91H81N25O8S7
• Molecular Weight: 1877.28 g/mol
• Exact Mass: 1875.47
• IUPAC Name: 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol
• SMILES: CN(C)c1ncc(-c2nc3ccc(O)cc3s2)cn1.CNc1ncc(-c2nc3ccc(O)cc3s2)cn1.CNc1ncc(-c2nc3ccc(OC)cc3s2)cn1.COc1ccc2nc(-c3ccc(N(C)C)cn3)sc2c1.COc1ccc2nc(-c3ccc(N)cn3)sc2c1.COc1ccc2nc(-c3cnc(N)nc3)sc2c1.COc1ccc2nc(-c3cnc(OC)nc3)sc2c1
• InChI: InChI=1S/C15H15N3OS.2C13H12N4OS.C13H11N3O2S.C13H11N3OS.2C12H10N4OS/c1-18(2)10-4-6-13(16-9-10)15-17-12-7-5-11(19-3)8-14(12)20-15;1-17(2)13-14-6-8(7-15-13)12-16-10-4-3-9(18)5-11(10)19-12;1-14-13-15-6-8(7-16-13)12-17-10-4-3-9(18-2)5-11(10)19-12;1-17-9-3-4-10-11(5-9)19-12(16-10)8-6-14-13(18-2)15-7-8;1-17-9-3-5-10-12(6-9)18-13(16-10)11-4-2-8(14)7-15-11;1-17-8-2-3-9-10(4-8)18-11(16-9)7-5-14-12(13)15-6-7;1-13-12-14-5-7(6-15-12)11-16-9-3-2-8(17)4-10(9)18-11/h4-9H,1-3H3;3-7,18H,1-2H3;3-7H,1-2H3,(H,14,15,16);3-7H,1-2H3;2-7H,14H2,1H3;2-6H,1H3,(H2,13,14,15);2-6,17H,1H3,(H,13,14,15)
• InChIKey: VRRIFWZIIZOLOU-UHFFFAOYSA-N
• XLogP: 19.33
• TPSA: 423.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 17
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1877.28
LogP ≤ 5	19.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol?

The IUPAC name of 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol (CID 161380682) is 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol.

What is the SMILES notation for 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol?

The canonical SMILES for 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol is CN(C)c1ncc(-c2nc3ccc(O)cc3s2)cn1.CNc1ncc(-c2nc3ccc(O)cc3s2)cn1.CNc1ncc(-c2nc3ccc(OC)cc3s2)cn1.COc1ccc2nc(-c3ccc(N(C)C)cn3)sc2c1.COc1ccc2nc(-c3ccc(N)cn3)sc2c1.COc1ccc2nc(-c3cnc(N)nc3)sc2c1.COc1ccc2nc(-c3cnc(OC)nc3)sc2c1.

What is the InChIKey of 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol?

The InChIKey is VRRIFWZIIZOLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS.2C13H12N4OS.C13H11N3O2S.C13H11N3OS.2C12H10N4OS/c1-18(2)10-4-6-13(16-9-10)15-17-12-7-5-11(19-3)8-14(12)20-15;1-17(2)13-14-6-8(7-15-13)12-16-10-4-3-9(18)5-11(10)19-12;1-14-13-15-6-8(7-16-13)12-17-10-4-3-9(18-2)5-11(10)19-12;1-17-9-3-4-10-11(5-9)19-12(16-10)8-6-14-13(18-2)15-7-8;1-17-9-3-5-10-12(6-9)18-13(16-10)11-4-2-8(14)7-15-11;1-17-8-2-3-9-10(4-8)18-11(16-9)7-5-14-12(13)15-6-7;1-13-12-14-5-7(6-15-12)11-16-9-3-2-8(17)4-10(9)18-11/h4-9H,1-3H3;3-7,18H,1-2H3;3-7H,1-2H3,(H,14,15,16);3-7H,1-2H3;2-7H,14H2,1H3;2-6H,1H3,(H2,13,14,15);2-6,17H,1H3,(H,13,14,15).

What are the key properties of 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol?

2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol has a molecular weight of 1877.28 g/mol, XLogP of 19.33, 17 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol;6-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine;6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine;6-methoxy-2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 161380682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).