N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-indol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-pyrrol-2-yl)ethanimine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-4-yl]oxy]ethanamine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-6-yl]oxy]ethanamine

C105H108N20O4S6 — CID 160998779

About N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-indol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-pyrrol-2-yl)ethanimine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-4-yl]oxy]ethanamine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-6-yl]oxy]ethanamine

N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-indol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-pyrrol-2-yl)ethanimine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-4-yl]oxy]ethanamine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-6-yl]oxy]ethanamine (PubChem CID 160998779) has the molecular formula C105H108N20O4S6 and a molecular weight of 1906.56 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-indol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-pyrrol-2-yl)ethanimine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-4-yl]oxy]ethanamine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-6-yl]oxy]ethanamine.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-indol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-pyrrol-2-yl)ethanimine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-4-yl]oxy]ethanamine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-6-yl]oxy]ethanamine
• PubChem CID: 160998779
• Molecular Formula: C105H108N20O4S6
• Molecular Weight: 1906.56 g/mol
• Exact Mass: 1904.72
• IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-indol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-pyrrol-2-yl)ethanimine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-4-yl]oxy]ethanamine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-6-yl]oxy]ethanamine
• SMILES: C/C(=N\Cc1nc2c(OCCN(C)C)cccc2s1)c1ccccn1.C/C(=N\Cc1nc2ccc(OCCN(C)C)cc2s1)c1ccccn1.C/C(=N\Cc1nc2ccccc2s1)C1=NC=CC1.C/C(=N\Cc1nc2ccccc2s1)C1=Nc2ccccc2C1.C/C(=N\Cc1nc2ccccc2s1)c1cc(OCCN(C)C)ccn1.C/C(=N\Cc1nc2ccccc2s1)c1ccccc1O
• InChI: InChI=1S/3C19H22N4OS.C18H15N3S.C16H14N2OS.C14H13N3S/c1-14(15-7-4-5-10-20-15)21-13-18-22-19-16(24-12-11-23(2)3)8-6-9-17(19)25-18;1-14(16-6-4-5-9-20-16)21-13-19-22-17-8-7-15(12-18(17)25-19)24-11-10-23(2)3;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;1-12(16-10-13-6-2-3-7-14(13)20-16)19-11-18-21-15-8-4-5-9-17(15)22-18;1-11(12-6-2-4-8-14(12)19)17-10-16-18-13-7-3-5-9-15(13)20-16;1-10(11-6-4-8-15-11)16-9-14-17-12-5-2-3-7-13(12)18-14/h4-10H,11-13H2,1-3H3;2*4-9,12H,10-11,13H2,1-3H3;2-9H,10-11H2,1H3;2-9,19H,10H2,1H3;2-5,7-8H,6,9H2,1H3/b3*21-14+;19-12+;17-11+;16-10+
• InChIKey: TVOZTIHSSZOWCN-BVNUECTPSA-N
• XLogP: 23.14
• TPSA: 272.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1906.56
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	1
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-(3H-indol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-pyrrol-2-yl)ethanimine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-4-yl]oxy]ethanamine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-6-yl]oxy]ethanamine?

The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-indol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-pyrrol-2-yl)ethanimine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-4-yl]oxy]ethanamine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-6-yl]oxy]ethanamine (CID 160998779) is N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-indol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-pyrrol-2-yl)ethanimine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-4-yl]oxy]ethanamine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-6-yl]oxy]ethanamine.

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

The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-indol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-pyrrol-2-yl)ethanimine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-4-yl]oxy]ethanamine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-6-yl]oxy]ethanamine is C/C(=N\Cc1nc2c(OCCN(C)C)cccc2s1)c1ccccn1.C/C(=N\Cc1nc2ccc(OCCN(C)C)cc2s1)c1ccccn1.C/C(=N\Cc1nc2ccccc2s1)C1=NC=CC1.C/C(=N\Cc1nc2ccccc2s1)C1=Nc2ccccc2C1.C/C(=N\Cc1nc2ccccc2s1)c1cc(OCCN(C)C)ccn1.C/C(=N\Cc1nc2ccccc2s1)c1ccccc1O.

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

The InChIKey is TVOZTIHSSZOWCN-BVNUECTPSA-N. The full InChI is InChI=1S/3C19H22N4OS.C18H15N3S.C16H14N2OS.C14H13N3S/c1-14(15-7-4-5-10-20-15)21-13-18-22-19-16(24-12-11-23(2)3)8-6-9-17(19)25-18;1-14(16-6-4-5-9-20-16)21-13-19-22-17-8-7-15(12-18(17)25-19)24-11-10-23(2)3;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;1-12(16-10-13-6-2-3-7-14(13)20-16)19-11-18-21-15-8-4-5-9-17(15)22-18;1-11(12-6-2-4-8-14(12)19)17-10-16-18-13-7-3-5-9-15(13)20-16;1-10(11-6-4-8-15-11)16-9-14-17-12-5-2-3-7-13(12)18-14/h4-10H,11-13H2,1-3H3;2*4-9,12H,10-11,13H2,1-3H3;2-9H,10-11H2,1H3;2-9,19H,10H2,1H3;2-5,7-8H,6,9H2,1H3/b3*21-14+;19-12+;17-11+;16-10+.

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

N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-indol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-pyrrol-2-yl)ethanimine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-4-yl]oxy]ethanamine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-6-yl]oxy]ethanamine has a molecular weight of 1906.56 g/mol, XLogP of 23.14, 30 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-indol-2-yl)ethanimine;2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-(1,3-benzothiazol-2-ylmethyl)-1-(3H-pyrrol-2-yl)ethanimine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-4-yl]oxy]ethanamine;N,N-dimethyl-2-[[2-[(1-pyridin-2-ylethylideneamino)methyl]-1,3-benzothiazol-6-yl]oxy]ethanamine is sourced from PubChem (CID 160998779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).