5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole

C15H12N2O2S — CID 2810751

IUPAC5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole
SMILESCOc1ccc(Oc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C15H12N2O2S/c1-18-12-7-9-13(10-8-12)19-15-16-14(17-20-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyUFUOEUUQCUMOGQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.01
Rot. Bonds4

About 5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole

5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole (PubChem CID 2810751) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole
PubChem CID2810751
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole
SMILESCOc1ccc(Oc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C15H12N2O2S/c1-18-12-7-9-13(10-8-12)19-15-16-14(17-20-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyUFUOEUUQCUMOGQ-UHFFFAOYSA-N
XLogP4.01
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole?
The IUPAC name of 5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole (CID 2810751) is 5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole is COc1ccc(Oc2nc(-c3ccccc3)ns2)cc1.
What is the InChIKey of 5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole?
The InChIKey is UFUOEUUQCUMOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-18-12-7-9-13(10-8-12)19-15-16-14(17-20-15)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole?
5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole has a molecular weight of 284.34 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole is sourced from PubChem (CID 2810751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).