2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine

C46H60BrN17O4S4 — CID 159250742

About 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine

2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine (PubChem CID 159250742) has the molecular formula C46H60BrN17O4S4 and a molecular weight of 1123.27 g/mol. Its IUPAC name is 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine
• PubChem CID: 159250742
• Molecular Formula: C46H60BrN17O4S4
• Molecular Weight: 1123.27 g/mol
• Exact Mass: 1121.31
• IUPAC Name: 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine
• SMILES: Brc1ccccn1.CCOC(=O)CCCCCCCN(c1ccccn1)c1nncs1.Nc1nncs1.O=C(CCCCCCCN(c1ccccn1)c1nncs1)NO.[H][H].c1ccc(Nc2nncs2)nc1
• InChI: InChI=1S/C17H24N4O2S.C15H21N5O2S.C7H6N4S.C5H4BrN.C2H3N3S.H2/c1-2-23-16(22)11-6-4-3-5-9-13-21(17-20-19-14-24-17)15-10-7-8-12-18-15;21-14(19-22)9-4-2-1-3-7-11-20(15-18-17-12-23-15)13-8-5-6-10-16-13;1-2-4-8-6(3-1)10-7-11-9-5-12-7;6-5-3-1-2-4-7-5;3-2-5-4-1-6-2;/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,8,10,11);1-4H;1H,(H2,3,5);1H
• InChIKey: KVGOSNYYXDHJPA-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 274.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1123.27
LogP ≤ 5	10.78
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'}

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine?

The IUPAC name of 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine (CID 159250742) is 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine?

The canonical SMILES for 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine is Brc1ccccn1.CCOC(=O)CCCCCCCN(c1ccccn1)c1nncs1.Nc1nncs1.O=C(CCCCCCCN(c1ccccn1)c1nncs1)NO.[H][H].c1ccc(Nc2nncs2)nc1.

What is the InChIKey of 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine?

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

What are the key properties of 2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine?

2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine has a molecular weight of 1123.27 g/mol, XLogP of 10.78, 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(1,3,4-thiadiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]octanamide;molecular hydrogen;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 159250742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).