N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-1,3-benzothiazol-2-amine;2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenol;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-1,3-benzothiazol-2-amine

C89H80N26O2S3 — CID 172985066

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;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-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;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 172985066) has the molecular formula C89H80N26O2S3 and a molecular weight of 1642.00 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;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-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;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-1,3-benzothiazol-2-amine
• PubChem CID: 172985066
• Molecular Formula: C89H80N26O2S3
• Molecular Weight: 1642.00 g/mol
• Exact Mass: 1640.61
• 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;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-1,3-benzothiazol-2-amine
• SMILES: C/C(=N\Nc1nc2ccccc2[nH]1)c1ccccn1.C/C(=N\Nc1nc2ccccc2n1C)c1ccccn1.C/C(=N\Nc1nc2ccccc2o1)c1ccccn1.C/C(=N\Nc1nc2ccccc2s1)c1ccccc1O.C/C(=N\Nc1nc2ccccc2s1)c1nc2ccccc2[nH]1.CC/C(=N\Nc1nc2ccccc2s1)c1ccccn1
• InChI: InChI=1S/C16H13N5S.C15H15N5.C15H14N4S.C15H13N3OS.C14H13N5.C14H12N4O/c1-10(15-17-11-6-2-3-7-12(11)18-15)20-21-16-19-13-8-4-5-9-14(13)22-16;1-11(12-7-5-6-10-16-12)18-19-15-17-13-8-3-4-9-14(13)20(15)2;1-2-11(12-7-5-6-10-16-12)18-19-15-17-13-8-3-4-9-14(13)20-15;1-10(11-6-2-4-8-13(11)19)17-18-15-16-12-7-3-5-9-14(12)20-15;1-10(11-6-4-5-9-15-11)18-19-14-16-12-7-2-3-8-13(12)17-14;1-10(11-6-4-5-9-15-11)17-18-14-16-12-7-2-3-8-13(12)19-14/h2-9H,1H3,(H,17,18)(H,19,21);3-10H,1-2H3,(H,17,19);3-10H,2H2,1H3,(H,17,19);2-9,19H,1H3,(H,16,18);2-9H,1H3,(H2,16,17,19);2-9H,1H3,(H,16,18)/b20-10+;2*18-11+;17-10+;18-10+;17-10+
• InChIKey: HOEWJCAIMYJCKR-UZDXJANESA-N
• XLogP: 20.42
• TPSA: 358.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1642.00
LogP ≤ 5	20.42
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

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;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-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;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-1,3-benzothiazol-2-amine (CID 172985066) 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;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-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;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-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;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-1,3-benzothiazol-2-amine is C/C(=N\Nc1nc2ccccc2[nH]1)c1ccccn1.C/C(=N\Nc1nc2ccccc2n1C)c1ccccn1.C/C(=N\Nc1nc2ccccc2o1)c1ccccn1.C/C(=N\Nc1nc2ccccc2s1)c1ccccc1O.C/C(=N\Nc1nc2ccccc2s1)c1nc2ccccc2[nH]1.CC/C(=N\Nc1nc2ccccc2s1)c1ccccn1.

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;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-1,3-benzothiazol-2-amine?

The InChIKey is HOEWJCAIMYJCKR-UZDXJANESA-N. The full InChI is InChI=1S/C16H13N5S.C15H15N5.C15H14N4S.C15H13N3OS.C14H13N5.C14H12N4O/c1-10(15-17-11-6-2-3-7-12(11)18-15)20-21-16-19-13-8-4-5-9-14(13)22-16;1-11(12-7-5-6-10-16-12)18-19-15-17-13-8-3-4-9-14(13)20(15)2;1-2-11(12-7-5-6-10-16-12)18-19-15-17-13-8-3-4-9-14(13)20-15;1-10(11-6-2-4-8-13(11)19)17-18-15-16-12-7-3-5-9-14(12)20-15;1-10(11-6-4-5-9-15-11)18-19-14-16-12-7-2-3-8-13(12)17-14;1-10(11-6-4-5-9-15-11)17-18-14-16-12-7-2-3-8-13(12)19-14/h2-9H,1H3,(H,17,18)(H,19,21);3-10H,1-2H3,(H,17,19);3-10H,2H2,1H3,(H,17,19);2-9,19H,1H3,(H,16,18);2-9H,1H3,(H2,16,17,19);2-9H,1H3,(H,16,18)/b20-10+;2*18-11+;17-10+;18-10+;17-10+.

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;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-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;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 1642.00 g/mol, XLogP of 20.42, 19 rotatable bonds, 9 hydrogen bond donors, and 29 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;1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1H-benzimidazol-2-amine;N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine;N-[(E)-1-pyridin-2-ylpropylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 172985066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).