2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole

C103H95F4N21O8S7 — CID 158556470

About 2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole

2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole (PubChem CID 158556470) has the molecular formula C103H95F4N21O8S7 and a molecular weight of 2055.49 g/mol. Its IUPAC name is 2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole
• PubChem CID: 158556470
• Molecular Formula: C103H95F4N21O8S7
• Molecular Weight: 2055.49 g/mol
• Exact Mass: 2053.57
• IUPAC Name: 2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole
• SMILES: CCN(C)c1ccc(-c2nc3ccc(O)cc3s2)cn1.CCN(C)c1ccc(-c2nc3ccc(OC)cc3s2)cn1.CCOc1ccc(-c2nc3ccc(OC)cc3s2)cn1.COc1ccc2nc(-c3ccc(C(F)(F)F)cn3)sc2c1.COc1ccc2nc(-c3ccc(F)cn3)sc2c1.COc1ccc2nc(-c3cnc(N(C)C)nc3)sc2c1.COc1ccc2nc(-c3cnc(N4CCNCC4)nc3)sc2c1
• InChI: InChI=1S/C16H17N5OS.C16H17N3OS.C15H15N3OS.C15H14N2O2S.C14H9F3N2OS.C14H14N4OS.C13H9FN2OS/c1-22-12-2-3-13-14(8-12)23-15(20-13)11-9-18-16(19-10-11)21-6-4-17-5-7-21;1-4-19(2)15-8-5-11(10-17-15)16-18-13-7-6-12(20-3)9-14(13)21-16;1-3-18(2)14-7-4-10(9-16-14)15-17-12-6-5-11(19)8-13(12)20-15;1-3-19-14-7-4-10(9-16-14)15-17-12-6-5-11(18-2)8-13(12)20-15;1-20-9-3-5-10-12(6-9)21-13(19-10)11-4-2-8(7-18-11)14(15,16)17;1-18(2)14-15-7-9(8-16-14)13-17-11-5-4-10(19-3)6-12(11)20-13;1-17-9-3-5-10-12(6-9)18-13(16-10)11-4-2-8(14)7-15-11/h2-3,8-10,17H,4-7H2,1H3;5-10H,4H2,1-3H3;4-9,19H,3H2,1-2H3;4-9H,3H2,1-2H3;2-7H,1H3;4-8H,1-3H3;2-7H,1H3
• InChIKey: HQIYIGYEOKQBCN-UHFFFAOYSA-N
• XLogP: 24.00
• TPSA: 316.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2055.49
LogP ≤ 5	24.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole?

The IUPAC name of 2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole (CID 158556470) is 2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole.

What is the SMILES notation for 2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole?

The canonical SMILES for 2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole is CCN(C)c1ccc(-c2nc3ccc(O)cc3s2)cn1.CCN(C)c1ccc(-c2nc3ccc(OC)cc3s2)cn1.CCOc1ccc(-c2nc3ccc(OC)cc3s2)cn1.COc1ccc2nc(-c3ccc(C(F)(F)F)cn3)sc2c1.COc1ccc2nc(-c3ccc(F)cn3)sc2c1.COc1ccc2nc(-c3cnc(N(C)C)nc3)sc2c1.COc1ccc2nc(-c3cnc(N4CCNCC4)nc3)sc2c1.

What is the InChIKey of 2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole?

The InChIKey is HQIYIGYEOKQBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS.C16H17N3OS.C15H15N3OS.C15H14N2O2S.C14H9F3N2OS.C14H14N4OS.C13H9FN2OS/c1-22-12-2-3-13-14(8-12)23-15(20-13)11-9-18-16(19-10-11)21-6-4-17-5-7-21;1-4-19(2)15-8-5-11(10-17-15)16-18-13-7-6-12(20-3)9-14(13)21-16;1-3-18(2)14-7-4-10(9-16-14)15-17-12-6-5-11(19)8-13(12)20-15;1-3-19-14-7-4-10(9-16-14)15-17-12-6-5-11(18-2)8-13(12)20-15;1-20-9-3-5-10-12(6-9)21-13(19-10)11-4-2-8(7-18-11)14(15,16)17;1-18(2)14-15-7-9(8-16-14)13-17-11-5-4-10(19-3)6-12(11)20-13;1-17-9-3-5-10-12(6-9)18-13(16-10)11-4-2-8(14)7-15-11/h2-3,8-10,17H,4-7H2,1H3;5-10H,4H2,1-3H3;4-9,19H,3H2,1-2H3;4-9H,3H2,1-2H3;2-7H,1H3;4-8H,1-3H3;2-7H,1H3.

What are the key properties of 2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole?

2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole has a molecular weight of 2055.49 g/mol, XLogP of 24.00, 21 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-ethoxy-3-pyridinyl)-6-methoxy-1,3-benzothiazole;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol;2-(5-fluoro-2-pyridinyl)-6-methoxy-1,3-benzothiazole;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrimidin-2-amine;6-methoxy-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazole;6-methoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 158556470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).