3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C13H7FN4S2 — CID 902219

IUPAC3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2nnc3sc(-c4cccs4)nn23)cc1
InChIInChI=1S/C13H7FN4S2/c14-9-5-3-8(4-6-9)11-15-16-13-18(11)17-12(20-13)10-2-1-7-19-10/h1-7H
InChIKeyJMWNQQHWBLPXFG-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.72
Rot. Bonds2

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

3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 902219) has the molecular formula C13H7FN4S2 and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID902219
Molecular FormulaC13H7FN4S2
Molecular Weight302.36 g/mol
Exact Mass302.01
IUPAC Name3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2nnc3sc(-c4cccs4)nn23)cc1
InChIInChI=1S/C13H7FN4S2/c14-9-5-3-8(4-6-9)11-15-16-13-18(11)17-12(20-13)10-2-1-7-19-10/h1-7H
InChIKeyJMWNQQHWBLPXFG-UHFFFAOYSA-N
XLogP3.72
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 902219) is 3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Fc1ccc(-c2nnc3sc(-c4cccs4)nn23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is JMWNQQHWBLPXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4S2/c14-9-5-3-8(4-6-9)11-15-16-13-18(11)17-12(20-13)10-2-1-7-19-10/h1-7H.
What are the key properties of 3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 302.36 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 902219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).