2-(3-azidophenoxy)-1,3,4-thiadiazole

C8H5N5OS — CID 169325618

IUPAC2-(3-azidophenoxy)-1,3,4-thiadiazole
SMILES[N-]=[N+]=Nc1cccc(Oc2nncs2)c1
InChIInChI=1S/C8H5N5OS/c9-13-11-6-2-1-3-7(4-6)14-8-12-10-5-15-8/h1-5H
InChIKeyYIACJMAGJIQMEG-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.27
Rot. Bonds3

About 2-(3-azidophenoxy)-1,3,4-thiadiazole

2-(3-azidophenoxy)-1,3,4-thiadiazole (PubChem CID 169325618) has the molecular formula C8H5N5OS and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-(3-azidophenoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-azidophenoxy)-1,3,4-thiadiazole
PubChem CID169325618
Molecular FormulaC8H5N5OS
Molecular Weight219.23 g/mol
Exact Mass219.02
IUPAC Name2-(3-azidophenoxy)-1,3,4-thiadiazole
SMILES[N-]=[N+]=Nc1cccc(Oc2nncs2)c1
InChIInChI=1S/C8H5N5OS/c9-13-11-6-2-1-3-7(4-6)14-8-12-10-5-15-8/h1-5H
InChIKeyYIACJMAGJIQMEG-UHFFFAOYSA-N
XLogP3.27
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(3-azidophenoxy)-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine
CID 118487273
ethyl 2-(3-azidophenoxy)pyridine-4-carboxylate
CID 169325853
2-(4-chlorophenoxy)-1,3,4-thiadiazole
CID 134106429
1-(2-hydroxyethyl)-3-[3-(1,3,4-thiadiazol-2-yloxy)anilino]pyrrole-2,5-dione
CID 168559149
N-[2-(3-azidophenoxy)ethyl]acetamide
CID 151103668
4-amino-5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329372
1-azido-3-ethenylbenzene
CID 10920640
(3-azidophenyl)methanamine
CID 21438660
3-(4-azido-2-methoxyphenoxy)pyridine
CID 152567738
2-(3-azidophenyl)-6-methoxypyridine
CID 150094759
2-azidopyrene
CID 14121488
1-azido-3-nitrobenzene;hydrofluoride
CID 161250805

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidophenoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-azidophenoxy)-1,3,4-thiadiazole (CID 169325618) is 2-(3-azidophenoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-azidophenoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-azidophenoxy)-1,3,4-thiadiazole is [N-]=[N+]=Nc1cccc(Oc2nncs2)c1.
What is the InChIKey of 2-(3-azidophenoxy)-1,3,4-thiadiazole?
The InChIKey is YIACJMAGJIQMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5OS/c9-13-11-6-2-1-3-7(4-6)14-8-12-10-5-15-8/h1-5H.
What are the key properties of 2-(3-azidophenoxy)-1,3,4-thiadiazole?
2-(3-azidophenoxy)-1,3,4-thiadiazole has a molecular weight of 219.23 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidophenoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 169325618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).