1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium

C65H52BrN13O4S4V — CID 161107224

About 1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium

1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium (PubChem CID 161107224) has the molecular formula C65H52BrN13O4S4V and a molecular weight of 1338.33 g/mol. Its IUPAC name is 1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium.

Molecular Properties

• Compound Name: 1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium
• PubChem CID: 161107224
• Molecular Formula: C65H52BrN13O4S4V
• Molecular Weight: 1338.33 g/mol
• Exact Mass: 1336.18
• IUPAC Name: 1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium
• SMILES: Brc1ccccn1.COC(=O)c1ccc(CN(c2ccccn2)c2nc3ccccc3s2)cc1.Nc1nc2ccccc2s1.O=C(NO)c1ccc(CN(c2ccccn2)c2nc3ccccc3s2)cc1.[V].c1ccc(Nc2nc3ccccc3s2)nc1
• InChI: InChI=1S/C21H17N3O2S.C20H16N4O2S.C12H9N3S.C7H6N2S.C5H4BrN.V/c1-26-20(25)16-11-9-15(10-12-16)14-24(19-8-4-5-13-22-19)21-23-17-6-2-3-7-18(17)27-21;25-19(23-26)15-10-8-14(9-11-15)13-24(18-7-3-4-12-21-18)20-22-16-5-1-2-6-17(16)27-20;1-2-6-10-9(5-1)14-12(16-10)15-11-7-3-4-8-13-11;8-7-9-5-3-1-2-4-6(5)10-7;6-5-3-1-2-4-7-5;/h2-13H,14H2,1H3;1-12,26H,13H2,(H,23,25);1-8H,(H,13,14,15);1-4H,(H2,8,9);1-4H
• InChIKey: UJFHBTMUSMEZGW-UHFFFAOYSA-N
• XLogP: 16.12
• TPSA: 223.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1338.33
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium?

The IUPAC name of 1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium (CID 161107224) is 1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium.

What is the SMILES notation for 1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium?

The canonical SMILES for 1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium is Brc1ccccn1.COC(=O)c1ccc(CN(c2ccccn2)c2nc3ccccc3s2)cc1.Nc1nc2ccccc2s1.O=C(NO)c1ccc(CN(c2ccccn2)c2nc3ccccc3s2)cc1.[V].c1ccc(Nc2nc3ccccc3s2)nc1.

What is the InChIKey of 1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium?

The InChIKey is UJFHBTMUSMEZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S.C20H16N4O2S.C12H9N3S.C7H6N2S.C5H4BrN.V/c1-26-20(25)16-11-9-15(10-12-16)14-24(19-8-4-5-13-22-19)21-23-17-6-2-3-7-18(17)27-21;25-19(23-26)15-10-8-14(9-11-15)13-24(18-7-3-4-12-21-18)20-22-16-5-1-2-6-17(16)27-20;1-2-6-10-9(5-1)14-12(16-10)15-11-7-3-4-8-13-11;8-7-9-5-3-1-2-4-6(5)10-7;6-5-3-1-2-4-7-5;/h2-13H,14H2,1H3;1-12,26H,13H2,(H,23,25);1-8H,(H,13,14,15);1-4H,(H2,8,9);1-4H;.

What are the key properties of 1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium?

1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium has a molecular weight of 1338.33 g/mol, XLogP of 16.12, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzothiazol-2-amine;4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;2-bromopyridine;methyl 4-[[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium is sourced from PubChem (CID 161107224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).