N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine

C100H103N25O4S6 — CID 172938779

About N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine

N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 172938779) has the molecular formula C100H103N25O4S6 and a molecular weight of 1911.50 g/mol. Its IUPAC name is N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine
• PubChem CID: 172938779
• Molecular Formula: C100H103N25O4S6
• Molecular Weight: 1911.50 g/mol
• Exact Mass: 1909.69
• IUPAC Name: N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine
• SMILES: C/C(=N\Cc1nc2c(OCCN(C)C)cccc2s1)c1ccccn1.C/C(=N\Cc1nc2ccc(OCCN(C)C)cc2s1)c1ccccn1.C/C(=N\Cc1nc2ccccc2s1)c1cc(OCCN(C)C)ccn1.C/C(=N\Nc1nc2ccccc2s1)c1ccccc1O.C/C(=N\Nc1nc2ccccc2s1)c1nc2ccccc2[nH]1.C/C(=N\Nc1nc2ccccc2s1)c1ncc[nH]1
• InChI: InChI=1S/3C19H22N4OS.C16H13N5S.C15H13N3OS.C12H11N5S/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;1-10(15-17-11-6-2-3-7-12(11)18-15)20-21-16-19-13-8-4-5-9-14(13)22-16;1-10(11-6-2-4-8-13(11)19)17-18-15-16-12-7-3-5-9-14(12)20-15;1-8(11-13-6-7-14-11)16-17-12-15-9-4-2-3-5-10(9)18-12/h4-10H,11-13H2,1-3H3;2*4-9,12H,10-11,13H2,1-3H3;2-9H,1H3,(H,17,18)(H,19,21);2-9,19H,1H3,(H,16,18);2-7H,1H3,(H,13,14)(H,15,17)/b3*21-14+;20-10+;17-10+;16-8+
• InChIKey: YONJPMWUBGSVBV-NLSDEXLBSA-N
• XLogP: 21.62
• TPSA: 341.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1911.50
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine?

The IUPAC name of N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine (CID 172938779) is N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine.

What is the SMILES notation for N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine?

The canonical SMILES for N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine is C/C(=N\Cc1nc2c(OCCN(C)C)cccc2s1)c1ccccn1.C/C(=N\Cc1nc2ccc(OCCN(C)C)cc2s1)c1ccccn1.C/C(=N\Cc1nc2ccccc2s1)c1cc(OCCN(C)C)ccn1.C/C(=N\Nc1nc2ccccc2s1)c1ccccc1O.C/C(=N\Nc1nc2ccccc2s1)c1nc2ccccc2[nH]1.C/C(=N\Nc1nc2ccccc2s1)c1ncc[nH]1.

What is the InChIKey of N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine?

The InChIKey is YONJPMWUBGSVBV-NLSDEXLBSA-N. The full InChI is InChI=1S/3C19H22N4OS.C16H13N5S.C15H13N3OS.C12H11N5S/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;1-10(15-17-11-6-2-3-7-12(11)18-15)20-21-16-19-13-8-4-5-9-14(13)22-16;1-10(11-6-2-4-8-13(11)19)17-18-15-16-12-7-3-5-9-14(12)20-15;1-8(11-13-6-7-14-11)16-17-12-15-9-4-2-3-5-10(9)18-12/h4-10H,11-13H2,1-3H3;2*4-9,12H,10-11,13H2,1-3H3;2-9H,1H3,(H,17,18)(H,19,21);2-9,19H,1H3,(H,16,18);2-7H,1H3,(H,13,14)(H,15,17)/b3*21-14+;20-10+;17-10+;16-8+.

What are the key properties of N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine?

N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 1911.50 g/mol, XLogP of 21.62, 30 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;2-[[2-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;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-[(E)-1-(1H-imidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 172938779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).