2-bromopyridine;ethyl 7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide

C48H63BrIN17O4S4 — CID 158534287

About 2-bromopyridine;ethyl 7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide

2-bromopyridine;ethyl 7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide (PubChem CID 158534287) has the molecular formula C48H63BrIN17O4S4 and a molecular weight of 1277.22 g/mol. Its IUPAC name is 2-bromopyridine;ethyl 7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide.

Molecular Properties

• Compound Name: 2-bromopyridine;ethyl 7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide
• PubChem CID: 158534287
• Molecular Formula: C48H63BrIN17O4S4
• Molecular Weight: 1277.22 g/mol
• Exact Mass: 1275.24
• IUPAC Name: 2-bromopyridine;ethyl 7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide
• SMILES: Brc1ccccn1.CCOC(=O)CCCCCCN(c1ccccn1)c1nnc(C)s1.Cc1nnc(N(CCCCCCC(=O)NO)c2ccccn2)s1.Cc1nnc(N)s1.Cc1nnc(Nc2ccccn2)s1.I
• InChI: InChI=1S/C17H24N4O2S.C15H21N5O2S.C8H8N4S.C5H4BrN.C3H5N3S.HI/c1-3-23-16(22)11-6-4-5-9-13-21(15-10-7-8-12-18-15)17-20-19-14(2)24-17;1-12-17-18-15(23-12)20(13-8-5-6-10-16-13)11-7-3-2-4-9-14(21)19-22;1-6-11-12-8(13-6)10-7-4-2-3-5-9-7;6-5-3-1-2-4-7-5;1-2-5-6-3(4)7-2;/h7-8,10,12H,3-6,9,11,13H2,1-2H3;5-6,8,10,22H,2-4,7,9,11H2,1H3,(H,19,21);2-5H,1H3,(H,9,10,12);1-4H;1H3,(H2,4,6);1H
• InChIKey: FOKXHIONTRTBGJ-UHFFFAOYSA-N
• XLogP: 11.60
• TPSA: 274.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1277.22
LogP ≤ 5	11.60
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': 'iodine', '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-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide?

The IUPAC name of 2-bromopyridine;ethyl 7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide (CID 158534287) is 2-bromopyridine;ethyl 7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide.

What is the SMILES notation for 2-bromopyridine;ethyl 7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide?

The canonical SMILES for 2-bromopyridine;ethyl 7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide is Brc1ccccn1.CCOC(=O)CCCCCCN(c1ccccn1)c1nnc(C)s1.Cc1nnc(N(CCCCCCC(=O)NO)c2ccccn2)s1.Cc1nnc(N)s1.Cc1nnc(Nc2ccccn2)s1.I.

What is the InChIKey of 2-bromopyridine;ethyl 7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide?

The InChIKey is FOKXHIONTRTBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S.C15H21N5O2S.C8H8N4S.C5H4BrN.C3H5N3S.HI/c1-3-23-16(22)11-6-4-5-9-13-21(15-10-7-8-12-18-15)17-20-19-14(2)24-17;1-12-17-18-15(23-12)20(13-8-5-6-10-16-13)11-7-3-2-4-9-14(21)19-22;1-6-11-12-8(13-6)10-7-4-2-3-5-9-7;6-5-3-1-2-4-7-5;1-2-5-6-3(4)7-2;/h7-8,10,12H,3-6,9,11,13H2,1-2H3;5-6,8,10,22H,2-4,7,9,11H2,1H3,(H,19,21);2-5H,1H3,(H,9,10,12);1-4H;1H3,(H2,4,6);1H.

What are the key properties of 2-bromopyridine;ethyl 7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide?

2-bromopyridine;ethyl 7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide has a molecular weight of 1277.22 g/mol, XLogP of 11.60, 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-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;hydroiodide is sourced from PubChem (CID 158534287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).