ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol

C125H131N27O11S7 — CID 159865868

About ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol

ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol (PubChem CID 159865868) has the molecular formula C125H131N27O11S7 and a molecular weight of 2412.07 g/mol. Its IUPAC name is ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol.

Molecular Properties

• Compound Name: ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol
• PubChem CID: 159865868
• Molecular Formula: C125H131N27O11S7
• Molecular Weight: 2412.07 g/mol
• Exact Mass: 2409.86
• IUPAC Name: ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol
• SMILES: CCOC(=O)c1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1.CCOC(=O)c1ccc2nc(-c3ccc(N4CCNCC4)nc3)sc2c1.CCOC(=O)c1ccc2nc(-c3ccc(OC)nc3)sc2c1.CN1CCN(c2ccc(-c3nc4ccc(C(N)=O)cc4s3)cn2)CC1.CN1CCN(c2ccc(-c3nc4ccc(O)cc4s3)cn2)CC1.COc1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1.COc1ccc2nc(-c3ccc(N4CCNCC4)nc3)sc2c1
• InChI: InChI=1S/C20H22N4O2S.C19H20N4O2S.C18H19N5OS.C18H20N4OS.2C17H18N4OS.C16H14N2O3S/c1-3-26-20(25)14-4-6-16-17(12-14)27-19(22-16)15-5-7-18(21-13-15)24-10-8-23(2)9-11-24;1-2-25-19(24)13-3-5-15-16(11-13)26-18(22-15)14-4-6-17(21-12-14)23-9-7-20-8-10-23;1-22-6-8-23(9-7-22)16-5-3-13(11-20-16)18-21-14-4-2-12(17(19)24)10-15(14)25-18;1-21-7-9-22(10-8-21)17-6-3-13(12-19-17)18-20-15-5-4-14(23-2)11-16(15)24-18;1-20-6-8-21(9-7-20)16-5-2-12(11-18-16)17-19-14-4-3-13(22)10-15(14)23-17;1-22-13-3-4-14-15(10-13)23-17(20-14)12-2-5-16(19-11-12)21-8-6-18-7-9-21;1-3-21-16(19)10-4-6-12-13(8-10)22-15(18-12)11-5-7-14(20-2)17-9-11/h4-7,12-13H,3,8-11H2,1-2H3;3-6,11-12,20H,2,7-10H2,1H3;2-5,10-11H,6-9H2,1H3,(H2,19,24);3-6,11-12H,7-10H2,1-2H3;2-5,10-11,22H,6-9H2,1H3;2-5,10-11,18H,6-9H2,1H3;4-9H,3H2,1-2H3
• InChIKey: NRSJOUFXFVJUEW-UHFFFAOYSA-N
• XLogP: 20.69
• TPSA: 406.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 44
• Rotatable Bonds: 23
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2412.07
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol?

The IUPAC name of ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol (CID 159865868) is ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol.

What is the SMILES notation for ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol?

The canonical SMILES for ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol is CCOC(=O)c1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1.CCOC(=O)c1ccc2nc(-c3ccc(N4CCNCC4)nc3)sc2c1.CCOC(=O)c1ccc2nc(-c3ccc(OC)nc3)sc2c1.CN1CCN(c2ccc(-c3nc4ccc(C(N)=O)cc4s3)cn2)CC1.CN1CCN(c2ccc(-c3nc4ccc(O)cc4s3)cn2)CC1.COc1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1.COc1ccc2nc(-c3ccc(N4CCNCC4)nc3)sc2c1.

What is the InChIKey of ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol?

The InChIKey is NRSJOUFXFVJUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S.C19H20N4O2S.C18H19N5OS.C18H20N4OS.2C17H18N4OS.C16H14N2O3S/c1-3-26-20(25)14-4-6-16-17(12-14)27-19(22-16)15-5-7-18(21-13-15)24-10-8-23(2)9-11-24;1-2-25-19(24)13-3-5-15-16(11-13)26-18(22-15)14-4-6-17(21-12-14)23-9-7-20-8-10-23;1-22-6-8-23(9-7-22)16-5-3-13(11-20-16)18-21-14-4-2-12(17(19)24)10-15(14)25-18;1-21-7-9-22(10-8-21)17-6-3-13(12-19-17)18-20-15-5-4-14(23-2)11-16(15)24-18;1-20-6-8-21(9-7-20)16-5-2-12(11-18-16)17-19-14-4-3-13(22)10-15(14)23-17;1-22-13-3-4-14-15(10-13)23-17(20-14)12-2-5-16(19-11-12)21-8-6-18-7-9-21;1-3-21-16(19)10-4-6-12-13(8-10)22-15(18-12)11-5-7-14(20-2)17-9-11/h4-7,12-13H,3,8-11H2,1-2H3;3-6,11-12,20H,2,7-10H2,1H3;2-5,10-11H,6-9H2,1H3,(H2,19,24);3-6,11-12H,7-10H2,1-2H3;2-5,10-11,22H,6-9H2,1H3;2-5,10-11,18H,6-9H2,1H3;4-9H,3H2,1-2H3.

What are the key properties of ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol?

ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol has a molecular weight of 2412.07 g/mol, XLogP of 20.69, 23 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 159865868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).