2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium

C14H10N2OS — CID 23279319

IUPAC2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium
SMILES[O-][n+]1snc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C14H10N2OS/c17-16-14(12-9-5-2-6-10-12)13(15-18-16)11-7-3-1-4-8-11/h1-10H
InChIKeyCOCIRWBJDVCXKG-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.11
Rot. Bonds2

About 2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium

2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium (PubChem CID 23279319) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium.

Molecular Properties

Compound Name2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium
PubChem CID23279319
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium
SMILES[O-][n+]1snc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C14H10N2OS/c17-16-14(12-9-5-2-6-10-12)13(15-18-16)11-7-3-1-4-8-11/h1-10H
InChIKeyCOCIRWBJDVCXKG-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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Related Compounds

2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
5-phenyl-1,2,6-thiadiazine-3,4-dione
CID 66572232
3-chloro-2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium
CID 13172309
4-nitro-2-oxido-3-phenyl-1,2,5-oxadiazol-2-ium
CID 560674
3-oxido-5-phenylthiadiazol-3-ium
CID 15554904
3-oxido-5-phenylthiatriazol-3-ium
CID 533869
4,5-diphenyl-2H-triazole
CID 613500
benzene;tris(1,1'-biphenyl)
CID 162155747
4-(4-phenylphenyl)-1,3-thiazol-5-amine
CID 62081863
3,5-diphenyl-1,2-thiazol-4-ol
CID 10198936
4-(benzenesulfonyl)-2-oxido-3-phenyl-1,2,5-oxadiazol-2-ium
CID 12613559
4-oxido-3-phenyl-1,2,4-thiadiazol-4-ium-5-carbonitrile
CID 15394763

Frequently Asked Questions

What is the IUPAC name of 2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium?
The IUPAC name of 2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium (CID 23279319) is 2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium.
What is the SMILES notation for 2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium?
The canonical SMILES for 2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium is [O-][n+]1snc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium?
The InChIKey is COCIRWBJDVCXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-16-14(12-9-5-2-6-10-12)13(15-18-16)11-7-3-1-4-8-11/h1-10H.
What are the key properties of 2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium?
2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-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 2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium is sourced from PubChem (CID 23279319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).