2-bromopyridine;ethyl 8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine

C52H74BrN17O4S4 — CID 159058362

About 2-bromopyridine;ethyl 8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine

2-bromopyridine;ethyl 8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 159058362) has the molecular formula C52H74BrN17O4S4 and a molecular weight of 1209.45 g/mol. Its IUPAC name is 2-bromopyridine;ethyl 8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 2-bromopyridine;ethyl 8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine
• PubChem CID: 159058362
• Molecular Formula: C52H74BrN17O4S4
• Molecular Weight: 1209.45 g/mol
• Exact Mass: 1207.42
• IUPAC Name: 2-bromopyridine;ethyl 8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine
• SMILES: Brc1ccccn1.C.C.CCOC(=O)CCCCCCCN(c1ccccn1)c1nnc(C)s1.Cc1nnc(N(CCCCCCCC(=O)NO)c2ccccn2)s1.Cc1nnc(N)s1.Cc1nnc(Nc2ccccn2)s1
• InChI: InChI=1S/C18H26N4O2S.C16H23N5O2S.C8H8N4S.C5H4BrN.C3H5N3S.2CH4/c1-3-24-17(23)12-7-5-4-6-10-14-22(16-11-8-9-13-19-16)18-21-20-15(2)25-18;1-13-18-19-16(24-13)21(14-9-6-7-11-17-14)12-8-4-2-3-5-10-15(22)20-23;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;;/h8-9,11,13H,3-7,10,12,14H2,1-2H3;6-7,9,11,23H,2-5,8,10,12H2,1H3,(H,20,22);2-5H,1H3,(H,9,10,12);1-4H;1H3,(H2,4,6);2*1H4
• InChIKey: JYDMHCZFHPJBEP-UHFFFAOYSA-N
• XLogP: 13.04
• TPSA: 274.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1209.45
LogP ≤ 5	13.04
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-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine?

The IUPAC name of 2-bromopyridine;ethyl 8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine (CID 159058362) is 2-bromopyridine;ethyl 8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 2-bromopyridine;ethyl 8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 2-bromopyridine;ethyl 8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine is Brc1ccccn1.C.C.CCOC(=O)CCCCCCCN(c1ccccn1)c1nnc(C)s1.Cc1nnc(N(CCCCCCCC(=O)NO)c2ccccn2)s1.Cc1nnc(N)s1.Cc1nnc(Nc2ccccn2)s1.

What is the InChIKey of 2-bromopyridine;ethyl 8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine?

The InChIKey is JYDMHCZFHPJBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S.C16H23N5O2S.C8H8N4S.C5H4BrN.C3H5N3S.2CH4/c1-3-24-17(23)12-7-5-4-6-10-14-22(16-11-8-9-13-19-16)18-21-20-15(2)25-18;1-13-18-19-16(24-13)21(14-9-6-7-11-17-14)12-8-4-2-3-5-10-15(22)20-23;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;;/h8-9,11,13H,3-7,10,12,14H2,1-2H3;6-7,9,11,23H,2-5,8,10,12H2,1H3,(H,20,22);2-5H,1H3,(H,9,10,12);1-4H;1H3,(H2,4,6);2*1H4.

What are the key properties of 2-bromopyridine;ethyl 8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine?

2-bromopyridine;ethyl 8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 1209.45 g/mol, XLogP of 13.04, 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-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]octanamide;methane;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 159058362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).