5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole

C15H11FN2OS — CID 2739732

IUPAC5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole
SMILESFc1ccc(OCc2ccc(-c3ncns3)cc2)cc1
InChIInChI=1S/C15H11FN2OS/c16-13-5-7-14(8-6-13)19-9-11-1-3-12(4-2-11)15-17-10-18-20-15/h1-8,10H,9H2
InChIKeyFGRGWDLYCQIXQV-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.92
Rot. Bonds4

About 5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole

5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole (PubChem CID 2739732) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole
PubChem CID2739732
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole
SMILESFc1ccc(OCc2ccc(-c3ncns3)cc2)cc1
InChIInChI=1S/C15H11FN2OS/c16-13-5-7-14(8-6-13)19-9-11-1-3-12(4-2-11)15-17-10-18-20-15/h1-8,10H,9H2
InChIKeyFGRGWDLYCQIXQV-UHFFFAOYSA-N
XLogP3.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole?
The IUPAC name of 5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole (CID 2739732) is 5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole is Fc1ccc(OCc2ccc(-c3ncns3)cc2)cc1.
What is the InChIKey of 5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole?
The InChIKey is FGRGWDLYCQIXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-13-5-7-14(8-6-13)19-9-11-1-3-12(4-2-11)15-17-10-18-20-15/h1-8,10H,9H2.
What are the key properties of 5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole?
5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole has a molecular weight of 286.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-thiadiazole is sourced from PubChem (CID 2739732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).