1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine

C97H106N22O3S3 — CID 159381939

About 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine

1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine (PubChem CID 159381939) has the molecular formula C97H106N22O3S3 and a molecular weight of 1724.27 g/mol. Its IUPAC name is 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine.

Molecular Properties

• Compound Name: 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine
• PubChem CID: 159381939
• Molecular Formula: C97H106N22O3S3
• Molecular Weight: 1724.27 g/mol
• Exact Mass: 1722.80
• IUPAC Name: 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine
• SMILES: C/C(=N\Cc1nc2ccccc2n1CCN1CCOCC1)c1ccccn1.C/C(=N\Cc1nc2ccccc2o1)c1cc(OCCN(C)C)ccn1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN(C)C)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN(C)Cc2ccccn2)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN)n1
• InChI: InChI=1S/C23H23N5S.C21H25N5O.C19H22N4O2.C18H20N4S.C16H16N4S/c1-17(25-14-23-27-21-10-3-4-12-22(21)29-23)20-11-7-9-19(26-20)16-28(2)15-18-8-5-6-13-24-18;1-17(18-6-4-5-9-22-18)23-16-21-24-19-7-2-3-8-20(19)26(21)11-10-25-12-14-27-15-13-25;1-14(17-12-15(8-9-20-17)24-11-10-23(2)3)21-13-19-22-16-6-4-5-7-18(16)25-19;1-13(15-9-6-7-14(20-15)12-22(2)3)19-11-18-21-16-8-4-5-10-17(16)23-18;1-11(13-7-4-5-12(9-17)19-13)18-10-16-20-14-6-2-3-8-15(14)21-16/h3-13H,14-16H2,1-2H3;2-9H,10-16H2,1H3;4-9,12H,10-11,13H2,1-3H3;4-10H,11-12H2,1-3H3;2-8H,9-10,17H2,1H3/b25-17+;23-17+;21-14+;19-13+;18-11+
• InChIKey: LLAFMAPHSQLYNG-VUHHCMINSA-N
• XLogP: 17.59
• TPSA: 279.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1724.27
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine?

The IUPAC name of 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine (CID 159381939) is 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine.

What is the SMILES notation for 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine?

The canonical SMILES for 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine is C/C(=N\Cc1nc2ccccc2n1CCN1CCOCC1)c1ccccn1.C/C(=N\Cc1nc2ccccc2o1)c1cc(OCCN(C)C)ccn1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN(C)C)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN(C)Cc2ccccn2)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN)n1.

What is the InChIKey of 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine?

The InChIKey is LLAFMAPHSQLYNG-VUHHCMINSA-N. The full InChI is InChI=1S/C23H23N5S.C21H25N5O.C19H22N4O2.C18H20N4S.C16H16N4S/c1-17(25-14-23-27-21-10-3-4-12-22(21)29-23)20-11-7-9-19(26-20)16-28(2)15-18-8-5-6-13-24-18;1-17(18-6-4-5-9-22-18)23-16-21-24-19-7-2-3-8-20(19)26(21)11-10-25-12-14-27-15-13-25;1-14(17-12-15(8-9-20-17)24-11-10-23(2)3)21-13-19-22-16-6-4-5-7-18(16)25-19;1-13(15-9-6-7-14(20-15)12-22(2)3)19-11-18-21-16-8-4-5-10-17(16)23-18;1-11(13-7-4-5-12(9-17)19-13)18-10-16-20-14-6-2-3-8-15(14)21-16/h3-13H,14-16H2,1-2H3;2-9H,10-16H2,1H3;4-9,12H,10-11,13H2,1-3H3;4-10H,11-12H2,1-3H3;2-8H,9-10,17H2,1H3/b25-17+;23-17+;21-14+;19-13+;18-11+.

What are the key properties of 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine?

1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine has a molecular weight of 1724.27 g/mol, XLogP of 17.59, 29 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-1-pyridin-2-ylethanimine is sourced from PubChem (CID 159381939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).