3-oxido-4,5-diphenylthiadiazol-3-ium

C14H10N2OS — CID 15554905

IUPAC3-oxido-4,5-diphenylthiadiazol-3-ium
SMILES[O-][n+]1nsc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C14H10N2OS/c17-16-13(11-7-3-1-4-8-11)14(18-15-16)12-9-5-2-6-10-12/h1-10H
InChIKeyUYWNVCLYPGUGNF-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.11
Rot. Bonds2

About 3-oxido-4,5-diphenylthiadiazol-3-ium

3-oxido-4,5-diphenylthiadiazol-3-ium (PubChem CID 15554905) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-oxido-4,5-diphenylthiadiazol-3-ium.

Molecular Properties

Compound Name3-oxido-4,5-diphenylthiadiazol-3-ium
PubChem CID15554905
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name3-oxido-4,5-diphenylthiadiazol-3-ium
SMILES[O-][n+]1nsc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C14H10N2OS/c17-16-13(11-7-3-1-4-8-11)14(18-15-16)12-9-5-2-6-10-12/h1-10H
InChIKeyUYWNVCLYPGUGNF-UHFFFAOYSA-N
XLogP3.11
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxido-4,5-diphenylthiadiazol-3-ium?
The IUPAC name of 3-oxido-4,5-diphenylthiadiazol-3-ium (CID 15554905) is 3-oxido-4,5-diphenylthiadiazol-3-ium.
What is the SMILES notation for 3-oxido-4,5-diphenylthiadiazol-3-ium?
The canonical SMILES for 3-oxido-4,5-diphenylthiadiazol-3-ium is [O-][n+]1nsc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-oxido-4,5-diphenylthiadiazol-3-ium?
The InChIKey is UYWNVCLYPGUGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-16-13(11-7-3-1-4-8-11)14(18-15-16)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 3-oxido-4,5-diphenylthiadiazol-3-ium?
3-oxido-4,5-diphenylthiadiazol-3-ium has a molecular weight of 254.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxido-4,5-diphenylthiadiazol-3-ium is sourced from PubChem (CID 15554905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).