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

C14H8Cl2N2OS — CID 2725978

IUPAC5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole
SMILESClc1cc(Cl)cc(Oc2nc(-c3ccccc3)ns2)c1
InChIInChI=1S/C14H8Cl2N2OS/c15-10-6-11(16)8-12(7-10)19-14-17-13(18-20-14)9-4-2-1-3-5-9/h1-8H
InChIKeyRTEKOTHIKGIUDD-UHFFFAOYSA-N
MW323.20 g/mol
LogP5.30
Rot. Bonds3

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

5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole (PubChem CID 2725978) has the molecular formula C14H8Cl2N2OS and a molecular weight of 323.20 g/mol. Its IUPAC name is 5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole
PubChem CID2725978
Molecular FormulaC14H8Cl2N2OS
Molecular Weight323.20 g/mol
Exact Mass321.97
IUPAC Name5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole
SMILESClc1cc(Cl)cc(Oc2nc(-c3ccccc3)ns2)c1
InChIInChI=1S/C14H8Cl2N2OS/c15-10-6-11(16)8-12(7-10)19-14-17-13(18-20-14)9-4-2-1-3-5-9/h1-8H
InChIKeyRTEKOTHIKGIUDD-UHFFFAOYSA-N
XLogP5.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.20
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole (CID 2725978) is 5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole is Clc1cc(Cl)cc(Oc2nc(-c3ccccc3)ns2)c1.
What is the InChIKey of 5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole?
The InChIKey is RTEKOTHIKGIUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2OS/c15-10-6-11(16)8-12(7-10)19-14-17-13(18-20-14)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole?
5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole has a molecular weight of 323.20 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole is sourced from PubChem (CID 2725978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).