2-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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

C109H99N27O10S8 — CID 158548508

IUPAC2-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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
SMILESCN(C)c1ccc(-c2nc3ccc(O)cc3s2)nc1.CNc1ncc(-c2nc3ccc(O)cc3s2)cn1.CNc1ncc(-c2nc3ccc(OC)cc3s2)cn1.COc1ccc2nc(-c3ccc(N(C)C)cn3)sc2c1.COc1ccc2nc(-c3ccc(N)cn3)sc2c1.COc1ccc2nc(-c3ccc(N4CCOCC4)nc3)sc2c1.COc1ccc2nc(-c3cnc(N)nc3)sc2c1.COc1ccc2nc(-c3cnc(OC)nc3)sc2c1
InChIInChI=1S/C17H17N3O2S.C15H15N3OS.C14H13N3OS.C13H12N4OS.C13H11N3O2S.C13H11N3OS.2C12H10N4OS/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;1-18(2)10-4-6-13(16-9-10)15-17-12-7-5-11(19-3)8-14(12)20-15;1-17(2)9-3-5-12(15-8-9)14-16-11-6-4-10(18)7-13(11)19-14;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/h2-5,10-11H,6-9H2,1H3;4-9H,1-3H3;3-8,18H,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)
InChIKeyHPKTUHDNAHFTCE-UHFFFAOYSA-N
MW2203.71 g/mol
LogP23.13
Rot. Bonds20

About 2-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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 158548508) has the molecular formula C109H99N27O10S8 and a molecular weight of 2203.71 g/mol. Its IUPAC name is 2-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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 Name2-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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 CID158548508
Molecular FormulaC109H99N27O10S8
Molecular Weight2203.71 g/mol
Exact Mass2201.58
IUPAC Name2-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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
SMILESCN(C)c1ccc(-c2nc3ccc(O)cc3s2)nc1.CNc1ncc(-c2nc3ccc(O)cc3s2)cn1.CNc1ncc(-c2nc3ccc(OC)cc3s2)cn1.COc1ccc2nc(-c3ccc(N(C)C)cn3)sc2c1.COc1ccc2nc(-c3ccc(N)cn3)sc2c1.COc1ccc2nc(-c3ccc(N4CCOCC4)nc3)sc2c1.COc1ccc2nc(-c3cnc(N)nc3)sc2c1.COc1ccc2nc(-c3cnc(OC)nc3)sc2c1
InChIInChI=1S/C17H17N3O2S.C15H15N3OS.C14H13N3OS.C13H12N4OS.C13H11N3O2S.C13H11N3OS.2C12H10N4OS/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;1-18(2)10-4-6-13(16-9-10)15-17-12-7-5-11(19-3)8-14(12)20-15;1-17(2)9-3-5-12(15-8-9)14-16-11-6-4-10(18)7-13(11)19-14;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/h2-5,10-11H,6-9H2,1H3;4-9H,1-3H3;3-8,18H,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)
InChIKeyHPKTUHDNAHFTCE-UHFFFAOYSA-N
XLogP23.13
TPSA457.92 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds20
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002203.71
LogP ≤ 523.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Analyze 2-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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 158548508) is 2-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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)c1ccc(-c2nc3ccc(O)cc3s2)nc1.CNc1ncc(-c2nc3ccc(O)cc3s2)cn1.CNc1ncc(-c2nc3ccc(OC)cc3s2)cn1.COc1ccc2nc(-c3ccc(N(C)C)cn3)sc2c1.COc1ccc2nc(-c3ccc(N)cn3)sc2c1.COc1ccc2nc(-c3ccc(N4CCOCC4)nc3)sc2c1.COc1ccc2nc(-c3cnc(N)nc3)sc2c1.COc1ccc2nc(-c3cnc(OC)nc3)sc2c1.
What is the InChIKey of 2-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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 HPKTUHDNAHFTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S.C15H15N3OS.C14H13N3OS.C13H12N4OS.C13H11N3O2S.C13H11N3OS.2C12H10N4OS/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;1-18(2)10-4-6-13(16-9-10)15-17-12-7-5-11(19-3)8-14(12)20-15;1-17(2)9-3-5-12(15-8-9)14-16-11-6-4-10(18)7-13(11)19-14;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/h2-5,10-11H,6-9H2,1H3;4-9H,1-3H3;3-8,18H,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-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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 2203.71 g/mol, XLogP of 23.13, 20 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylamino)-2-pyridinyl]-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;4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]morpholine;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 158548508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).