N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine

C100H97N21O3S6 — CID 159887257

About N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine

N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine (PubChem CID 159887257) has the molecular formula C100H97N21O3S6 and a molecular weight of 1833.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine
• PubChem CID: 159887257
• Molecular Formula: C100H97N21O3S6
• Molecular Weight: 1833.42 g/mol
• Exact Mass: 1831.64
• IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine
• SMILES: C/C(=N\Cc1nc2ccccc2s1)c1ccc(N(C)C)cn1.C/C(=N\Cc1nc2ccccc2s1)c1nc2ccccc2n1C.C/C(=N\Cc1nc2ccccc2s1)c1ncccc1N(C)C.COc1ccc2nc(C/N=C(\C)c3ccccn3)sc2c1.COc1ccc2sc(C/N=C(\C)c3ccccn3)nc2c1.COc1ccnc(/C(C)=N/Cc2nc3ccccc3s2)c1
• InChI: InChI=1S/C18H16N4S.2C17H18N4S.3C16H15N3OS/c1-12(18-21-13-7-3-5-9-15(13)22(18)2)19-11-17-20-14-8-4-6-10-16(14)23-17;1-12(17-14(21(2)3)8-6-10-18-17)19-11-16-20-13-7-4-5-9-15(13)22-16;1-12(14-9-8-13(10-19-14)21(2)3)18-11-17-20-15-6-4-5-7-16(15)22-17;1-11(13-5-3-4-8-17-13)18-10-16-19-14-9-12(20-2)6-7-15(14)21-16;1-11(13-5-3-4-8-17-13)18-10-16-19-14-7-6-12(20-2)9-15(14)21-16;1-11(14-9-12(20-2)7-8-17-14)18-10-16-19-13-5-3-4-6-15(13)21-16/h3-10H,11H2,1-2H3;2*4-10H,11H2,1-3H3;3*3-9H,10H2,1-2H3/b2*19-12+;18-12+;3*18-11+
• InChIKey: NUHGWFXGQKGCGF-MNJAFSIISA-N
• XLogP: 22.85
• TPSA: 267.94 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1833.42
LogP ≤ 5	22.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine?

The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine (CID 159887257) is N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine.

What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine?

The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine is C/C(=N\Cc1nc2ccccc2s1)c1ccc(N(C)C)cn1.C/C(=N\Cc1nc2ccccc2s1)c1nc2ccccc2n1C.C/C(=N\Cc1nc2ccccc2s1)c1ncccc1N(C)C.COc1ccc2nc(C/N=C(\C)c3ccccn3)sc2c1.COc1ccc2sc(C/N=C(\C)c3ccccn3)nc2c1.COc1ccnc(/C(C)=N/Cc2nc3ccccc3s2)c1.

What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine?

The InChIKey is NUHGWFXGQKGCGF-MNJAFSIISA-N. The full InChI is InChI=1S/C18H16N4S.2C17H18N4S.3C16H15N3OS/c1-12(18-21-13-7-3-5-9-15(13)22(18)2)19-11-17-20-14-8-4-6-10-16(14)23-17;1-12(17-14(21(2)3)8-6-10-18-17)19-11-16-20-13-7-4-5-9-15(13)22-16;1-12(14-9-8-13(10-19-14)21(2)3)18-11-17-20-15-6-4-5-7-16(15)22-17;1-11(13-5-3-4-8-17-13)18-10-16-19-14-9-12(20-2)6-7-15(14)21-16;1-11(13-5-3-4-8-17-13)18-10-16-19-14-7-6-12(20-2)9-15(14)21-16;1-11(14-9-12(20-2)7-8-17-14)18-10-16-19-13-5-3-4-6-15(13)21-16/h3-10H,11H2,1-2H3;2*4-10H,11H2,1-3H3;3*3-9H,10H2,1-2H3/b2*19-12+;18-12+;3*18-11+.

What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine?

N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine has a molecular weight of 1833.42 g/mol, XLogP of 22.85, 23 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxy-2-pyridinyl)ethanimine;N-(1,3-benzothiazol-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-N,N-dimethylpyridin-3-amine;N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine;N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1-pyridin-2-ylethanimine is sourced from PubChem (CID 159887257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).