6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole

C124H128F3N23O9S8 — CID 159316876

About 6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole

6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole (PubChem CID 159316876) has the molecular formula C124H128F3N23O9S8 and a molecular weight of 2398.07 g/mol. Its IUPAC name is 6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole.

Molecular Properties

• Compound Name: 6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole
• PubChem CID: 159316876
• Molecular Formula: C124H128F3N23O9S8
• Molecular Weight: 2398.07 g/mol
• Exact Mass: 2395.80
• IUPAC Name: 6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole
• SMILES: CC(=O)Cc1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1.CCOC(=O)Cc1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1.CCc1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1.CN1CCN(c2ccc(-c3nc4ccc(CCC(F)(F)F)cc4s3)cn2)CC1.COc1ccc(-c2nc3ccc(CC(C)=O)cc3s2)cn1.COc1ccc(-c2nc3ccc(CS(C)(=O)=O)cc3s2)cn1.COc1ccc(-c2nc3ccc(N)cc3s2)cn1
• InChI: InChI=1S/C21H24N4O2S.C20H21F3N4S.C20H22N4OS.C19H22N4S.C16H14N2O2S.C15H14N2O3S2.C13H11N3OS/c1-3-27-20(26)13-15-4-6-17-18(12-15)28-21(23-17)16-5-7-19(22-14-16)25-10-8-24(2)9-11-25;1-26-8-10-27(11-9-26)18-5-3-15(13-24-18)19-25-16-4-2-14(12-17(16)28-19)6-7-20(21,22)23;1-14(25)11-15-3-5-17-18(12-15)26-20(22-17)16-4-6-19(21-13-16)24-9-7-23(2)8-10-24;1-3-14-4-6-16-17(12-14)24-19(21-16)15-5-7-18(20-13-15)23-10-8-22(2)9-11-23;1-10(19)7-11-3-5-13-14(8-11)21-16(18-13)12-4-6-15(20-2)17-9-12;1-20-14-6-4-11(8-16-14)15-17-12-5-3-10(7-13(12)21-15)9-22(2,18)19;1-17-12-5-2-8(7-15-12)13-16-10-4-3-9(14)6-11(10)18-13/h4-7,12,14H,3,8-11,13H2,1-2H3;2-5,12-13H,6-11H2,1H3;3-6,12-13H,7-11H2,1-2H3;4-7,12-13H,3,8-11H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-8H,9H2,1-2H3;2-7H,14H2,1H3
• InChIKey: LDGCGBJWJSBAEH-UHFFFAOYSA-N
• XLogP: 24.09
• TPSA: 354.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2398.07
LogP ≤ 5	24.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole?

The IUPAC name of 6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole (CID 159316876) is 6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole.

What is the SMILES notation for 6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole?

The canonical SMILES for 6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole is CC(=O)Cc1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1.CCOC(=O)Cc1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1.CCc1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1.CN1CCN(c2ccc(-c3nc4ccc(CCC(F)(F)F)cc4s3)cn2)CC1.COc1ccc(-c2nc3ccc(CC(C)=O)cc3s2)cn1.COc1ccc(-c2nc3ccc(CS(C)(=O)=O)cc3s2)cn1.COc1ccc(-c2nc3ccc(N)cc3s2)cn1.

What is the InChIKey of 6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole?

The InChIKey is LDGCGBJWJSBAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S.C20H21F3N4S.C20H22N4OS.C19H22N4S.C16H14N2O2S.C15H14N2O3S2.C13H11N3OS/c1-3-27-20(26)13-15-4-6-17-18(12-15)28-21(23-17)16-5-7-19(22-14-16)25-10-8-24(2)9-11-25;1-26-8-10-27(11-9-26)18-5-3-15(13-24-18)19-25-16-4-2-14(12-17(16)28-19)6-7-20(21,22)23;1-14(25)11-15-3-5-17-18(12-15)26-20(22-17)16-4-6-19(21-13-16)24-9-7-23(2)8-10-24;1-3-14-4-6-16-17(12-14)24-19(21-16)15-5-7-18(20-13-15)23-10-8-22(2)9-11-23;1-10(19)7-11-3-5-13-14(8-11)21-16(18-13)12-4-6-15(20-2)17-9-12;1-20-14-6-4-11(8-16-14)15-17-12-5-3-10(7-13(12)21-15)9-22(2,18)19;1-17-12-5-2-8(7-15-12)13-16-10-4-3-9(14)6-11(10)18-13/h4-7,12,14H,3,8-11,13H2,1-2H3;2-5,12-13H,6-11H2,1H3;3-6,12-13H,7-11H2,1-2H3;4-7,12-13H,3,8-11H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-8H,9H2,1-2H3;2-7H,14H2,1H3.

What are the key properties of 6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole?

6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole has a molecular weight of 2398.07 g/mol, XLogP of 24.09, 26 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;ethyl 2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetate;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-amine;1-[2-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-6-yl]propan-2-one;2-(6-methoxy-3-pyridinyl)-6-(methylsulfonylmethyl)-1,3-benzothiazole;1-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]propan-2-one;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)-1,3-benzothiazole is sourced from PubChem (CID 159316876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).