4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine

C153H140N24O12S7 — CID 161212309

About 4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine

4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine (PubChem CID 161212309) has the molecular formula C153H140N24O12S7 and a molecular weight of 2731.43 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine
• PubChem CID: 161212309
• Molecular Formula: C153H140N24O12S7
• Molecular Weight: 2731.43 g/mol
• Exact Mass: 2728.91
• IUPAC Name: 4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine
• SMILES: CCC(=O)c1ccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)cc1.CCN(CC)c1ccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)cc1.CNC(=O)Cc1ccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)cc1.COc1cncc(-c2ccc3nc(Nc4ccc(C)cc4)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc(CC(C)=O)cc4)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc(N(C)C(C)=O)cc4)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4cccc(OC(C)C)c4)sc3c2)c1
• InChI: InChI=1S/C23H24N4OS.2C22H20N4O2S.C22H19N3O2S.C22H21N3O2S.C22H19N3O2S.C20H17N3OS/c1-4-27(5-2)19-9-7-18(8-10-19)25-23-26-21-11-6-16(13-22(21)29-23)17-12-20(28-3)15-24-14-17;1-14(27)26(2)18-7-5-17(6-8-18)24-22-25-20-9-4-15(11-21(20)29-22)16-10-19(28-3)13-23-12-16;1-23-21(27)9-14-3-6-17(7-4-14)25-22-26-19-8-5-15(11-20(19)29-22)16-10-18(28-2)13-24-12-16;1-14(26)9-15-3-6-18(7-4-15)24-22-25-20-8-5-16(11-21(20)28-22)17-10-19(27-2)13-23-12-17;1-14(2)27-18-6-4-5-17(11-18)24-22-25-20-8-7-15(10-21(20)28-22)16-9-19(26-3)13-23-12-16;1-3-20(26)14-4-7-17(8-5-14)24-22-25-19-9-6-15(11-21(19)28-22)16-10-18(27-2)13-23-12-16;1-13-3-6-16(7-4-13)22-20-23-18-8-5-14(10-19(18)25-20)15-9-17(24-2)12-21-11-15/h6-15H,4-5H2,1-3H3,(H,25,26);4-13H,1-3H3,(H,24,25);3-8,10-13H,9H2,1-2H3,(H,23,27)(H,25,26);3-8,10-13H,9H2,1-2H3,(H,24,25);4-14H,1-3H3,(H,24,25);4-13H,3H2,1-2H3,(H,24,25);3-12H,1-2H3,(H,22,23)
• InChIKey: UWKAUGCZDANVBH-UHFFFAOYSA-N
• XLogP: 37.71
• TPSA: 425.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 40
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2731.43
LogP ≤ 5	37.71
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine?

The IUPAC name of 4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine (CID 161212309) is 4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine.

What is the SMILES notation for 4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine?

The canonical SMILES for 4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine is CCC(=O)c1ccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)cc1.CCN(CC)c1ccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)cc1.CNC(=O)Cc1ccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)cc1.COc1cncc(-c2ccc3nc(Nc4ccc(C)cc4)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc(CC(C)=O)cc4)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc(N(C)C(C)=O)cc4)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4cccc(OC(C)C)c4)sc3c2)c1.

What is the InChIKey of 4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine?

The InChIKey is UWKAUGCZDANVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS.2C22H20N4O2S.C22H19N3O2S.C22H21N3O2S.C22H19N3O2S.C20H17N3OS/c1-4-27(5-2)19-9-7-18(8-10-19)25-23-26-21-11-6-16(13-22(21)29-23)17-12-20(28-3)15-24-14-17;1-14(27)26(2)18-7-5-17(6-8-18)24-22-25-20-9-4-15(11-21(20)29-22)16-10-19(28-3)13-23-12-16;1-23-21(27)9-14-3-6-17(7-4-14)25-22-26-19-8-5-15(11-20(19)29-22)16-10-18(28-2)13-24-12-16;1-14(26)9-15-3-6-18(7-4-15)24-22-25-20-8-5-16(11-21(20)28-22)17-10-19(27-2)13-23-12-17;1-14(2)27-18-6-4-5-17(11-18)24-22-25-20-8-7-15(10-21(20)28-22)16-9-19(26-3)13-23-12-16;1-3-20(26)14-4-7-17(8-5-14)24-22-25-19-9-6-15(11-21(19)28-22)16-10-18(27-2)13-23-12-16;1-13-3-6-16(7-4-13)22-20-23-18-8-5-14(10-19(18)25-20)15-9-17(24-2)12-21-11-15/h6-15H,4-5H2,1-3H3,(H,25,26);4-13H,1-3H3,(H,24,25);3-8,10-13H,9H2,1-2H3,(H,23,27)(H,25,26);3-8,10-13H,9H2,1-2H3,(H,24,25);4-14H,1-3H3,(H,24,25);4-13H,3H2,1-2H3,(H,24,25);3-12H,1-2H3,(H,22,23).

What are the key properties of 4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine?

4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 2731.43 g/mol, XLogP of 37.71, 40 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 161212309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).