2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole

C8H3Br2N3O3S — CID 103009895

IUPAC2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole
SMILESO=[N+]([O-])c1ccc(Br)c(Oc2nnc(Br)s2)c1
InChIInChI=1S/C8H3Br2N3O3S/c9-5-2-1-4(13(14)15)3-6(5)16-8-12-11-7(10)17-8/h1-3H
InChIKeyWIFNSEYGONVXNL-UHFFFAOYSA-N
MW381.01 g/mol
LogP3.76
Rot. Bonds3

About 2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole

2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole (PubChem CID 103009895) has the molecular formula C8H3Br2N3O3S and a molecular weight of 381.01 g/mol. Its IUPAC name is 2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole
PubChem CID103009895
Molecular FormulaC8H3Br2N3O3S
Molecular Weight381.01 g/mol
Exact Mass378.83
IUPAC Name2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole
SMILESO=[N+]([O-])c1ccc(Br)c(Oc2nnc(Br)s2)c1
InChIInChI=1S/C8H3Br2N3O3S/c9-5-2-1-4(13(14)15)3-6(5)16-8-12-11-7(10)17-8/h1-3H
InChIKeyWIFNSEYGONVXNL-UHFFFAOYSA-N
XLogP3.76
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.01
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-(3-nitrophenoxy)-1,3,4-thiadiazole
CID 64624692
2-(2-bromo-5-nitrophenoxy)pyridin-4-amine
CID 114053316
5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103011961
3-(2-bromo-5-nitrophenoxy)pyrazine-2-carbonitrile
CID 103010082
5-(2-bromo-5-nitrophenoxy)pyrazine-2-carboxylic acid
CID 103012898
6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 103013798
2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid
CID 103009656
[6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103011231
2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 103010100
3-[(2-bromo-5-nitrophenoxy)methyl]-4-methyl-1,2,4-triazole
CID 102975282
2-(2-bromo-5-nitrophenoxy)-5-chlorobenzonitrile
CID 103010062
1-bromo-2-[5-bromo-2-(chloromethyl)phenoxy]-4-nitrobenzene
CID 103010930

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole (CID 103009895) is 2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole is O=[N+]([O-])c1ccc(Br)c(Oc2nnc(Br)s2)c1.
What is the InChIKey of 2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole?
The InChIKey is WIFNSEYGONVXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2N3O3S/c9-5-2-1-4(13(14)15)3-6(5)16-8-12-11-7(10)17-8/h1-3H.
What are the key properties of 2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole?
2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole has a molecular weight of 381.01 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 103009895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).