N-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide

C16H14N3OS+ — CID 763948

IUPACN-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)[n+](-c2ccccc2)s1
InChIInChI=1S/C16H13N3OS/c1-12(20)17-16-18-15(13-8-4-2-5-9-13)19(21-16)14-10-6-3-7-11-14/h2-11H,1H3/p+1
InChIKeyQYXWHMDYMVPARY-UHFFFAOYSA-O
MW296.38 g/mol
LogP3.05
Rot. Bonds3

About N-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide

N-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide (PubChem CID 763948) has the molecular formula C16H14N3OS+ and a molecular weight of 296.38 g/mol. Its IUPAC name is N-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide
PubChem CID763948
Molecular FormulaC16H14N3OS+
Molecular Weight296.38 g/mol
Exact Mass296.09
IUPAC NameN-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)[n+](-c2ccccc2)s1
InChIInChI=1S/C16H13N3OS/c1-12(20)17-16-18-15(13-8-4-2-5-9-13)19(21-16)14-10-6-3-7-11-14/h2-11H,1H3/p+1
InChIKeyQYXWHMDYMVPARY-UHFFFAOYSA-O
XLogP3.05
TPSA45.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide 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 N-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide?
The IUPAC name of N-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide (CID 763948) is N-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide.
What is the SMILES notation for N-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide?
The canonical SMILES for N-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide is CC(=O)Nc1nc(-c2ccccc2)[n+](-c2ccccc2)s1.
What is the InChIKey of N-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide?
The InChIKey is QYXWHMDYMVPARY-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13N3OS/c1-12(20)17-16-18-15(13-8-4-2-5-9-13)19(21-16)14-10-6-3-7-11-14/h2-11H,1H3/p+1.
What are the key properties of N-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide?
N-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide has a molecular weight of 296.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)acetamide is sourced from PubChem (CID 763948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).