3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole

C16H11N5S — CID 91473384

IUPAC3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole
SMILESc1ccc(-c2ccccc2-n2ccnn2)c(-c2ncsn2)c1
InChIInChI=1S/C16H11N5S/c1-2-7-14(16-17-11-22-19-16)12(5-1)13-6-3-4-8-15(13)21-10-9-18-20-21/h1-11H
InChIKeyROUZZIFNLIKGEF-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.45
Rot. Bonds3

About 3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole

3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole (PubChem CID 91473384) has the molecular formula C16H11N5S and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole
PubChem CID91473384
Molecular FormulaC16H11N5S
Molecular Weight305.37 g/mol
Exact Mass305.07
IUPAC Name3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole
SMILESc1ccc(-c2ccccc2-n2ccnn2)c(-c2ncsn2)c1
InChIInChI=1S/C16H11N5S/c1-2-7-14(16-17-11-22-19-16)12(5-1)13-6-3-4-8-15(13)21-10-9-18-20-21/h1-11H
InChIKeyROUZZIFNLIKGEF-UHFFFAOYSA-N
XLogP3.45
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole?
The IUPAC name of 3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole (CID 91473384) is 3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole is c1ccc(-c2ccccc2-n2ccnn2)c(-c2ncsn2)c1.
What is the InChIKey of 3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole?
The InChIKey is ROUZZIFNLIKGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5S/c1-2-7-14(16-17-11-22-19-16)12(5-1)13-6-3-4-8-15(13)21-10-9-18-20-21/h1-11H.
What are the key properties of 3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole?
3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole has a molecular weight of 305.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole is sourced from PubChem (CID 91473384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).