2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine

C47H65BrN17O4PS4 — CID 158511807

About 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine

2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine (PubChem CID 158511807) has the molecular formula C47H65BrN17O4PS4 and a molecular weight of 1171.30 g/mol. Its IUPAC name is 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine.

Molecular Properties

• Compound Name: 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine
• PubChem CID: 158511807
• Molecular Formula: C47H65BrN17O4PS4
• Molecular Weight: 1171.30 g/mol
• Exact Mass: 1169.32
• IUPAC Name: 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine
• SMILES: Brc1ccccn1.C.CCOC(=O)CCCCCCCN(c1ccccn1)c1ncns1.Nc1ncns1.O=C(CCCCCCCN(c1ccccn1)c1ncns1)NO.P.c1ccc(Nc2ncns2)nc1
• InChI: InChI=1S/C17H24N4O2S.C15H21N5O2S.C7H6N4S.C5H4BrN.C2H3N3S.CH4.H3P/c1-2-23-16(22)11-6-4-3-5-9-13-21(17-19-14-20-24-17)15-10-7-8-12-18-15;21-14(19-22)9-4-2-1-3-7-11-20(15-17-12-18-23-15)13-8-5-6-10-16-13;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;;/h7-8,10,12,14H,2-6,9,11,13H2,1H3;5-6,8,10,12,22H,1-4,7,9,11H2,(H,19,21);1-5H,(H,8,9,10,11);1-4H;1H,(H2,3,4,5);1H4;1H3
• InChIKey: HLDPBYJFQKTMRA-UHFFFAOYSA-N
• XLogP: 11.23
• TPSA: 274.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1171.30
LogP ≤ 5	11.23
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine?

The IUPAC name of 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine (CID 158511807) is 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine.

What is the SMILES notation for 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine?

The canonical SMILES for 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine is Brc1ccccn1.C.CCOC(=O)CCCCCCCN(c1ccccn1)c1ncns1.Nc1ncns1.O=C(CCCCCCCN(c1ccccn1)c1ncns1)NO.P.c1ccc(Nc2ncns2)nc1.

What is the InChIKey of 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine?

The InChIKey is HLDPBYJFQKTMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S.C15H21N5O2S.C7H6N4S.C5H4BrN.C2H3N3S.CH4.H3P/c1-2-23-16(22)11-6-4-3-5-9-13-21(17-19-14-20-24-17)15-10-7-8-12-18-15;21-14(19-22)9-4-2-1-3-7-11-20(15-17-12-18-23-15)13-8-5-6-10-16-13;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;;/h7-8,10,12,14H,2-6,9,11,13H2,1H3;5-6,8,10,12,22H,1-4,7,9,11H2,(H,19,21);1-5H,(H,8,9,10,11);1-4H;1H,(H2,3,4,5);1H4;1H3.

What are the key properties of 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine?

2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine has a molecular weight of 1171.30 g/mol, XLogP of 11.23, 23 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,2,4-thiadiazol-5-yl)amino]octanamide;methane;phosphane;N-pyridin-2-yl-1,2,4-thiadiazol-5-amine;1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 158511807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).