4-phenoxythiadiazole

C8H6N2OS — CID 18967865

IUPAC4-phenoxythiadiazole
SMILESc1ccc(Oc2csnn2)cc1
InChIInChI=1S/C8H6N2OS/c1-2-4-7(5-3-1)11-8-6-12-10-9-8/h1-6H
InChIKeyVYEHOMCQUWHYND-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.33
Rot. Bonds2

About 4-phenoxythiadiazole

4-phenoxythiadiazole (PubChem CID 18967865) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 4-phenoxythiadiazole.

Molecular Properties

Compound Name4-phenoxythiadiazole
PubChem CID18967865
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name4-phenoxythiadiazole
SMILESc1ccc(Oc2csnn2)cc1
InChIInChI=1S/C8H6N2OS/c1-2-4-7(5-3-1)11-8-6-12-10-9-8/h1-6H
InChIKeyVYEHOMCQUWHYND-UHFFFAOYSA-N
XLogP2.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-phenoxythiadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenoxythiadiazole?
The IUPAC name of 4-phenoxythiadiazole (CID 18967865) is 4-phenoxythiadiazole.
What is the SMILES notation for 4-phenoxythiadiazole?
The canonical SMILES for 4-phenoxythiadiazole is c1ccc(Oc2csnn2)cc1.
What is the InChIKey of 4-phenoxythiadiazole?
The InChIKey is VYEHOMCQUWHYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c1-2-4-7(5-3-1)11-8-6-12-10-9-8/h1-6H.
What are the key properties of 4-phenoxythiadiazole?
4-phenoxythiadiazole has a molecular weight of 178.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxythiadiazole is sourced from PubChem (CID 18967865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).