[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;N,N-dimethyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine

C73H82N16O3S3 — CID 157290686

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

[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;N,N-dimethyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine (PubChem CID 157290686) has the molecular formula C73H82N16O3S3 and a molecular weight of 1327.77 g/mol. Its IUPAC name is [6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;N,N-dimethyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine.

Molecular Properties

• Compound Name: [6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;N,N-dimethyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine
• PubChem CID: 157290686
• Molecular Formula: C73H82N16O3S3
• Molecular Weight: 1327.77 g/mol
• Exact Mass: 1326.59
• IUPAC Name: [6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;N,N-dimethyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine
• SMILES: C/C(=N\Cc1nc2ccccc2n1CCN(C)C)c1ccccn1.C/C(=N\Cc1nc2ccccc2s1)c1cc(OCCN(C)C)ccn1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CO)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(OCCN(C)C)n1
• InChI: InChI=1S/C19H23N5.2C19H22N4OS.C16H15N3OS/c1-15(16-8-6-7-11-20-16)21-14-19-22-17-9-4-5-10-18(17)24(19)13-12-23(2)3;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(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;1-11(13-7-4-5-12(10-20)18-13)17-9-16-19-14-6-2-3-8-15(14)21-16/h4-11H,12-14H2,1-3H3;4-10H,11-13H2,1-3H3;4-9,12H,10-11,13H2,1-3H3;2-8,20H,9-10H2,1H3/b21-15+;20-14+;21-14+;17-11+
• InChIKey: BATNJURLDJQCES-JCDJOUQWSA-N
• XLogP: 13.48
• TPSA: 205.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1327.77
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;N,N-dimethyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine?

The IUPAC name of [6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;N,N-dimethyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine (CID 157290686) is [6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;N,N-dimethyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine.

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

The canonical SMILES for [6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;N,N-dimethyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine is C/C(=N\Cc1nc2ccccc2n1CCN(C)C)c1ccccn1.C/C(=N\Cc1nc2ccccc2s1)c1cc(OCCN(C)C)ccn1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CO)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(OCCN(C)C)n1.

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

The InChIKey is BATNJURLDJQCES-JCDJOUQWSA-N. The full InChI is InChI=1S/C19H23N5.2C19H22N4OS.C16H15N3OS/c1-15(16-8-6-7-11-20-16)21-14-19-22-17-9-4-5-10-18(17)24(19)13-12-23(2)3;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(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;1-11(13-7-4-5-12(10-20)18-13)17-9-16-19-14-6-2-3-8-15(14)21-16/h4-11H,12-14H2,1-3H3;4-10H,11-13H2,1-3H3;4-9,12H,10-11,13H2,1-3H3;2-8,20H,9-10H2,1H3/b21-15+;20-14+;21-14+;17-11+.

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

[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;N,N-dimethyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine has a molecular weight of 1327.77 g/mol, XLogP of 13.48, 24 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;2-[[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;N,N-dimethyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine is sourced from PubChem (CID 157290686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).