5-phenoxy-3-phenyl-1,2,4-thiadiazole

C14H10N2OS — CID 86254361

IUPAC5-phenoxy-3-phenyl-1,2,4-thiadiazole
SMILESc1ccc(Oc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C14H10N2OS/c1-3-7-11(8-4-1)13-15-14(18-16-13)17-12-9-5-2-6-10-12/h1-10H
InChIKeyMOLSJMSWRPEBGC-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.00
Rot. Bonds3

About 5-phenoxy-3-phenyl-1,2,4-thiadiazole

5-phenoxy-3-phenyl-1,2,4-thiadiazole (PubChem CID 86254361) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-phenoxy-3-phenyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-phenoxy-3-phenyl-1,2,4-thiadiazole
PubChem CID86254361
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name5-phenoxy-3-phenyl-1,2,4-thiadiazole
SMILESc1ccc(Oc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C14H10N2OS/c1-3-7-11(8-4-1)13-15-14(18-16-13)17-12-9-5-2-6-10-12/h1-10H
InChIKeyMOLSJMSWRPEBGC-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Bis(3-methoxyphenyl)-1,2,4-thiadiazole
CID 56837846
3,5-Bis(4-methoxyphenyl)-1,2,4-thiadiazole
CID 596715
3-(3-Methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 43556066
3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 16446930
3,5-Bis(4-methoxyphenyl)-1,2,4-selenadiazole
CID 583974
5-(3,5-Dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole
CID 2725978
5-(4-Methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole
CID 2810751
2-Chloro-4-phenoxy-6-phenyl-1,3,5-triazine
CID 12706443
5-(4'-Methoxy)phenyl-1,2,4-thiadiazole
CID 141407651
3-(3-Phenoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 43556136
5-Bromomethyl-3-(4-trifluoromethoxyphenyl)[1,2,4]thiadiazole
CID 16756659
3-Bromomethyl-5-(4-trifluoromethoxyphenyl)[1,2,4]thiadiazole
CID 16756776

Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-3-phenyl-1,2,4-thiadiazole?
The IUPAC name of 5-phenoxy-3-phenyl-1,2,4-thiadiazole (CID 86254361) is 5-phenoxy-3-phenyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-phenoxy-3-phenyl-1,2,4-thiadiazole?
The canonical SMILES for 5-phenoxy-3-phenyl-1,2,4-thiadiazole is c1ccc(Oc2nc(-c3ccccc3)ns2)cc1.
What is the InChIKey of 5-phenoxy-3-phenyl-1,2,4-thiadiazole?
The InChIKey is MOLSJMSWRPEBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c1-3-7-11(8-4-1)13-15-14(18-16-13)17-12-9-5-2-6-10-12/h1-10H.
What are the key properties of 5-phenoxy-3-phenyl-1,2,4-thiadiazole?
5-phenoxy-3-phenyl-1,2,4-thiadiazole has a molecular weight of 254.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-3-phenyl-1,2,4-thiadiazole is sourced from PubChem (CID 86254361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).