2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine

C48H58BrK2N13O4S4 — CID 160792466

About 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine

2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine (PubChem CID 160792466) has the molecular formula C48H58BrK2N13O4S4 and a molecular weight of 1167.45 g/mol. Its IUPAC name is 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine
• PubChem CID: 160792466
• Molecular Formula: C48H58BrK2N13O4S4
• Molecular Weight: 1167.45 g/mol
• Exact Mass: 1165.21
• IUPAC Name: 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine
• SMILES: Brc1ccccn1.CCOC(=O)CCCCCCN(c1ccccn1)c1nccs1.Nc1nccs1.O=C(CCCCCCN(c1ccccn1)c1nccs1)NO.[K][K].c1ccc(Nc2nccs2)nc1
• InChI: InChI=1S/C17H23N3O2S.C15H20N4O2S.C8H7N3S.C5H4BrN.C3H4N2S.2K/c1-2-22-16(21)10-5-3-4-8-13-20(17-19-12-14-23-17)15-9-6-7-11-18-15;20-14(18-21)8-3-1-2-6-11-19(15-17-10-12-22-15)13-7-4-5-9-16-13;1-2-4-9-7(3-1)11-8-10-5-6-12-8;6-5-3-1-2-4-7-5;4-3-5-1-2-6-3;;/h6-7,9,11-12,14H,2-5,8,10,13H2,1H3;4-5,7,9-10,12,21H,1-3,6,8,11H2,(H,18,20);1-6H,(H,9,10,11);1-4H;1-2H,(H2,4,5)
• InChIKey: SBZRZQCZVBSVTI-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 223.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1167.45
LogP ≤ 5	11.41
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': 'Aliphatic_long_chain', '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 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine?

The IUPAC name of 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine (CID 160792466) is 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine.

What is the SMILES notation for 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine?

The canonical SMILES for 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine is Brc1ccccn1.CCOC(=O)CCCCCCN(c1ccccn1)c1nccs1.Nc1nccs1.O=C(CCCCCCN(c1ccccn1)c1nccs1)NO.[K][K].c1ccc(Nc2nccs2)nc1.

What is the InChIKey of 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine?

The InChIKey is SBZRZQCZVBSVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.C15H20N4O2S.C8H7N3S.C5H4BrN.C3H4N2S.2K/c1-2-22-16(21)10-5-3-4-8-13-20(17-19-12-14-23-17)15-9-6-7-11-18-15;20-14(18-21)8-3-1-2-6-11-19(15-17-10-12-22-15)13-7-4-5-9-16-13;1-2-4-9-7(3-1)11-8-10-5-6-12-8;6-5-3-1-2-4-7-5;4-3-5-1-2-6-3;;/h6-7,9,11-12,14H,2-5,8,10,13H2,1H3;4-5,7,9-10,12,21H,1-3,6,8,11H2,(H,18,20);1-6H,(H,9,10,11);1-4H;1-2H,(H2,4,5);;.

What are the key properties of 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine?

2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine has a molecular weight of 1167.45 g/mol, XLogP of 11.41, 21 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3-thiazol-2-yl)amino]heptanamide;potassiopotassium;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine is sourced from PubChem (CID 160792466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).