N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine

C108H107N25O3S5 — CID 159663060

About N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine

N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine (PubChem CID 159663060) has the molecular formula C108H107N25O3S5 and a molecular weight of 1963.55 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine
• PubChem CID: 159663060
• Molecular Formula: C108H107N25O3S5
• Molecular Weight: 1963.55 g/mol
• Exact Mass: 1961.76
• IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine
• SMILES: C/C(=N\Cc1nc2ccccc2o1)c1cccc(CO)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(/C(C)=N/Cc2nc3ccccc3s2)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(OCCN(C)C)n1.C/C(=N\Cc1nc2ccncc2s1)c1ccccn1.CNCCn1c(C/N=C(\C)c2ccccn2)nc2ccccc21
• InChI: InChI=1S/C25H21N5S2.C19H22N4OS.C18H21N5.C16H16N4S.C16H15N3O2.C14H12N4S/c1-16(26-14-24-29-20-8-3-5-12-22(20)31-24)18-10-7-11-19(28-18)17(2)27-15-25-30-21-9-4-6-13-23(21)32-25;1-14(15-8-6-10-18(21-15)24-12-11-23(2)3)20-13-19-22-16-7-4-5-9-17(16)25-19;1-14(15-7-5-6-10-20-15)21-13-18-22-16-8-3-4-9-17(16)23(18)12-11-19-2;1-11(13-7-4-5-12(9-17)19-13)18-10-16-20-14-6-2-3-8-15(14)21-16;1-11(13-7-4-5-12(10-20)18-13)17-9-16-19-14-6-2-3-8-15(14)21-16;1-10(11-4-2-3-6-16-11)17-9-14-18-12-5-7-15-8-13(12)19-14/h3-13H,14-15H2,1-2H3;4-10H,11-13H2,1-3H3;3-10,19H,11-13H2,1-2H3;2-8H,9-10,17H2,1H3;2-8,20H,9-10H2,1H3;2-8H,9H2,1H3/b26-16+,27-17+;20-14+;21-14+;18-11+;17-11+;17-10+
• InChIKey: MTBFCBJXQVZKOP-VRKZBHDASA-N
• XLogP: 21.60
• TPSA: 355.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1963.55
LogP ≤ 5	21.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

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-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine?

The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine (CID 159663060) is N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine.

What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine?

The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine is C/C(=N\Cc1nc2ccccc2o1)c1cccc(CO)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(/C(C)=N/Cc2nc3ccccc3s2)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(OCCN(C)C)n1.C/C(=N\Cc1nc2ccncc2s1)c1ccccn1.CNCCn1c(C/N=C(\C)c2ccccn2)nc2ccccc21.

What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine?

The InChIKey is MTBFCBJXQVZKOP-VRKZBHDASA-N. The full InChI is InChI=1S/C25H21N5S2.C19H22N4OS.C18H21N5.C16H16N4S.C16H15N3O2.C14H12N4S/c1-16(26-14-24-29-20-8-3-5-12-22(20)31-24)18-10-7-11-19(28-18)17(2)27-15-25-30-21-9-4-6-13-23(21)32-25;1-14(15-8-6-10-18(21-15)24-12-11-23(2)3)20-13-19-22-16-7-4-5-9-17(16)25-19;1-14(15-7-5-6-10-20-15)21-13-18-22-16-8-3-4-9-17(16)23(18)12-11-19-2;1-11(13-7-4-5-12(9-17)19-13)18-10-16-20-14-6-2-3-8-15(14)21-16;1-11(13-7-4-5-12(10-20)18-13)17-9-16-19-14-6-2-3-8-15(14)21-16;1-10(11-4-2-3-6-16-11)17-9-14-18-12-5-7-15-8-13(12)19-14/h3-13H,14-15H2,1-2H3;4-10H,11-13H2,1-3H3;3-10,19H,11-13H2,1-2H3;2-8H,9-10,17H2,1H3;2-8,20H,9-10H2,1H3;2-8H,9H2,1H3/b26-16+,27-17+;20-14+;21-14+;18-11+;17-11+;17-10+.

What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine?

N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine has a molecular weight of 1963.55 g/mol, XLogP of 21.60, 30 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine is sourced from PubChem (CID 159663060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).