6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C16H10F2N4OS — CID 850660

IUPAC6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(OCc2nn3c(-c4ccc(F)cc4)nnc3s2)cc1
InChIInChI=1S/C16H10F2N4OS/c17-11-3-1-10(2-4-11)15-19-20-16-22(15)21-14(24-16)9-23-13-7-5-12(18)6-8-13/h1-8H,9H2
InChIKeyNWAAZBDIDFCETF-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.71
Rot. Bonds4

About 6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 850660) has the molecular formula C16H10F2N4OS and a molecular weight of 344.35 g/mol. Its IUPAC name is 6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID850660
Molecular FormulaC16H10F2N4OS
Molecular Weight344.35 g/mol
Exact Mass344.05
IUPAC Name6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(OCc2nn3c(-c4ccc(F)cc4)nnc3s2)cc1
InChIInChI=1S/C16H10F2N4OS/c17-11-3-1-10(2-4-11)15-19-20-16-22(15)21-14(24-16)9-23-13-7-5-12(18)6-8-13/h1-8H,9H2
InChIKeyNWAAZBDIDFCETF-UHFFFAOYSA-N
XLogP3.71
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 850660) is 6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Fc1ccc(OCc2nn3c(-c4ccc(F)cc4)nnc3s2)cc1.
What is the InChIKey of 6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is NWAAZBDIDFCETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4OS/c17-11-3-1-10(2-4-11)15-19-20-16-22(15)21-14(24-16)9-23-13-7-5-12(18)6-8-13/h1-8H,9H2.
What are the key properties of 6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 344.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 850660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).