2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine

C45H58BrN17O4S4 — CID 158290061

About 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine

2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine (PubChem CID 158290061) has the molecular formula C45H58BrN17O4S4 and a molecular weight of 1109.25 g/mol. Its IUPAC name is 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine
• PubChem CID: 158290061
• Molecular Formula: C45H58BrN17O4S4
• Molecular Weight: 1109.25 g/mol
• Exact Mass: 1107.29
• IUPAC Name: 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine
• SMILES: Brc1ccccn1.C.CCOC(=O)CCCCCCN(c1ccccn1)c1nncs1.Nc1nncs1.O=C(CCCCCCN(c1ccccn1)c1nncs1)NO.c1ccc(Nc2nncs2)nc1
• InChI: InChI=1S/C16H22N4O2S.C14H19N5O2S.C7H6N4S.C5H4BrN.C2H3N3S.CH4/c1-2-22-15(21)10-5-3-4-8-12-20(16-19-18-13-23-16)14-9-6-7-11-17-14;20-13(18-21)8-3-1-2-6-10-19(14-17-16-11-22-14)12-7-4-5-9-15-12;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;/h6-7,9,11,13H,2-5,8,10,12H2,1H3;4-5,7,9,11,21H,1-3,6,8,10H2,(H,18,20);1-5H,(H,8,10,11);1-4H;1H,(H2,3,5);1H4
• InChIKey: GLFYUXOPYYHLSW-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 274.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1109.25
LogP ≤ 5	10.39
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 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine?

The IUPAC name of 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine (CID 158290061) is 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;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 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine?

The canonical SMILES for 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine is Brc1ccccn1.C.CCOC(=O)CCCCCCN(c1ccccn1)c1nncs1.Nc1nncs1.O=C(CCCCCCN(c1ccccn1)c1nncs1)NO.c1ccc(Nc2nncs2)nc1.

What is the InChIKey of 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine?

The InChIKey is GLFYUXOPYYHLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S.C14H19N5O2S.C7H6N4S.C5H4BrN.C2H3N3S.CH4/c1-2-22-15(21)10-5-3-4-8-12-20(16-19-18-13-23-16)14-9-6-7-11-17-14;20-13(18-21)8-3-1-2-6-10-19(14-17-16-11-22-14)12-7-4-5-9-15-12;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;/h6-7,9,11,13H,2-5,8,10,12H2,1H3;4-5,7,9,11,21H,1-3,6,8,10H2,(H,18,20);1-5H,(H,8,10,11);1-4H;1H,(H2,3,5);1H4.

What are the key properties of 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine?

2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine has a molecular weight of 1109.25 g/mol, XLogP of 10.39, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridine;ethyl 7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]heptanamide;methane;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 158290061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).