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

C51H70BrN17O4S4 — CID 159502329

IUPAC2-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
SMILESBrc1ccccn1.C.CCOC(=O)CCCCCCCN(c1ccccn1)c1nnc(C)s1.Cc1nnc(N(CCCCCCCC(=O)NO)c2ccccn2)s1.Cc1nnc(N)s1.Cc1nnc(Nc2ccccn2)s1
InChIInChI=1S/C18H26N4O2S.C16H23N5O2S.C8H8N4S.C5H4BrN.C3H5N3S.CH4/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);1H4
InChIKeyLZNVNWXTBNUBFR-UHFFFAOYSA-N
MW1193.41 g/mol
LogP12.40
Rot. Bonds23

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 159502329) has the molecular formula C51H70BrN17O4S4 and a molecular weight of 1193.41 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 Name2-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 CID159502329
Molecular FormulaC51H70BrN17O4S4
Molecular Weight1193.41 g/mol
Exact Mass1191.39
IUPAC Name2-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
SMILESBrc1ccccn1.C.CCOC(=O)CCCCCCCN(c1ccccn1)c1nnc(C)s1.Cc1nnc(N(CCCCCCCC(=O)NO)c2ccccn2)s1.Cc1nnc(N)s1.Cc1nnc(Nc2ccccn2)s1
InChIInChI=1S/C18H26N4O2S.C16H23N5O2S.C8H8N4S.C5H4BrN.C3H5N3S.CH4/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);1H4
InChIKeyLZNVNWXTBNUBFR-UHFFFAOYSA-N
XLogP12.40
TPSA274.84 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001193.41
LogP ≤ 512.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

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'}

Analyze 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 with MolForge

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Related Compounds

1,3-benzothiazol-2-amine;8-[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]-N-hydroxyoctanamide;2-bromopyridine;ethyl 8-[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]octanoate;methane;N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 157313037
2-bromopyridine;ethyl 8-[pyridin-2-yl(1,3-thiazol-2-yl)amino]octanoate;N-hydroxy-8-[pyridin-2-yl(1,3-thiazol-2-yl)amino]octanamide;methane;N-pyridin-2-yl-1,3-thiazol-2-amine;1,3-thiazol-2-amine
CID 157713577
2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;methane;1-methylpyrazol-3-amine;uranium
CID 157732566
2-bromopyridine;deuterium monohydride;ethyl 8-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]octanamide;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine
CID 157981950
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
2-bromopyridine;ethyl 7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine
CID 158408699
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
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
2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride
CID 158640135
2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen
CID 158723641
CID 158859747
CID 158859747
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

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 159502329) 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.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 LZNVNWXTBNUBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S.C16H23N5O2S.C8H8N4S.C5H4BrN.C3H5N3S.CH4/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);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 1193.41 g/mol, XLogP of 12.40, 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 159502329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).