2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide

C20H16N2OS — CID 21332491

IUPAC2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide
SMILESO=S1C(c2ccccc2)=NN(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H16N2OS/c23-24-19(16-10-4-1-5-11-16)21-22(18-14-8-3-9-15-18)20(24)17-12-6-2-7-13-17/h1-15,20H
InChIKeyZBYWKHXIEYGZRT-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.32
Rot. Bonds3

About 2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide

2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide (PubChem CID 21332491) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide.

Molecular Properties

Compound Name2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide
PubChem CID21332491
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide
SMILESO=S1C(c2ccccc2)=NN(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H16N2OS/c23-24-19(16-10-4-1-5-11-16)21-22(18-14-8-3-9-15-18)20(24)17-12-6-2-7-13-17/h1-15,20H
InChIKeyZBYWKHXIEYGZRT-UHFFFAOYSA-N
XLogP4.32
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide?
The IUPAC name of 2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide (CID 21332491) is 2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide.
What is the SMILES notation for 2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide?
The canonical SMILES for 2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide is O=S1C(c2ccccc2)=NN(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide?
The InChIKey is ZBYWKHXIEYGZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c23-24-19(16-10-4-1-5-11-16)21-22(18-14-8-3-9-15-18)20(24)17-12-6-2-7-13-17/h1-15,20H.
What are the key properties of 2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide?
2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide has a molecular weight of 332.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triphenyl-2H-1,3,4-thiadiazole 1-oxide is sourced from PubChem (CID 21332491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).