potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine

C45H41BrKN17O4S4 — CID 162228742

About potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine

potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine (PubChem CID 162228742) has the molecular formula C45H41BrKN17O4S4 and a molecular weight of 1131.21 g/mol. Its IUPAC name is potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine.

Molecular Properties

• Compound Name: potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine
• PubChem CID: 162228742
• Molecular Formula: C45H41BrKN17O4S4
• Molecular Weight: 1131.21 g/mol
• Exact Mass: 1129.12
• IUPAC Name: potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine
• SMILES: Brc1ccccn1.COC(=O)c1ccc(CN(c2ccccn2)c2ncns2)cc1.Nc1ncns1.O=C(NO)c1ccc(CN(c2ccccn2)c2ncns2)cc1.[H-].[K+].c1ccc(Nc2ncns2)nc1
• InChI: InChI=1S/C16H14N4O2S.C15H13N5O2S.C7H6N4S.C5H4BrN.C2H3N3S.K.H/c1-22-15(21)13-7-5-12(6-8-13)10-20(16-18-11-19-23-16)14-4-2-3-9-17-14;21-14(19-22)12-6-4-11(5-7-12)9-20(15-17-10-18-23-15)13-3-1-2-8-16-13;1-2-4-8-6(3-1)11-7-9-5-10-12-7;6-5-3-1-2-4-7-5;3-2-4-1-5-6-2;;/h2-9,11H,10H2,1H3;1-8,10,22H,9H2,(H,19,21);1-5H,(H,8,9,10,11);1-4H;1H,(H2,3,4,5);;/q;;;;;+1;-1
• InChIKey: IMRPDURIZUDTTC-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 274.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1131.21
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

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 potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine?

The IUPAC name of potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine (CID 162228742) is potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine.

What is the SMILES notation for potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine?

The canonical SMILES for potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine is Brc1ccccn1.COC(=O)c1ccc(CN(c2ccccn2)c2ncns2)cc1.Nc1ncns1.O=C(NO)c1ccc(CN(c2ccccn2)c2ncns2)cc1.[H-].[K+].c1ccc(Nc2ncns2)nc1.

What is the InChIKey of potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine?

The InChIKey is IMRPDURIZUDTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S.C15H13N5O2S.C7H6N4S.C5H4BrN.C2H3N3S.K.H/c1-22-15(21)13-7-5-12(6-8-13)10-20(16-18-11-19-23-16)14-4-2-3-9-17-14;21-14(19-22)12-6-4-11(5-7-12)9-20(15-17-10-18-23-15)13-3-1-2-8-16-13;1-2-4-8-6(3-1)11-7-9-5-10-12-7;6-5-3-1-2-4-7-5;3-2-4-1-5-6-2;;/h2-9,11H,10H2,1H3;1-8,10,22H,9H2,(H,19,21);1-5H,(H,8,9,10,11);1-4H;1H,(H2,3,4,5);;/q;;;;;+1;-1.

What are the key properties of potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine?

potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine has a molecular weight of 1131.21 g/mol, XLogP of 6.21, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-bromopyridine;hydride;N-hydroxy-4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 162228742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).