2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine

C11H10FN5S — CID 28912017

IUPAC2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine
SMILESNCCc1nn2c(-c3ccc(F)cc3)nnc2s1
InChIInChI=1S/C11H10FN5S/c12-8-3-1-7(2-4-8)10-14-15-11-17(10)16-9(18-11)5-6-13/h1-4H,5-6,13H2
InChIKeyDAZQTAYYMWHHEG-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.49
Rot. Bonds3

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

2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine (PubChem CID 28912017) has the molecular formula C11H10FN5S and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine
PubChem CID28912017
Molecular FormulaC11H10FN5S
Molecular Weight263.30 g/mol
Exact Mass263.06
IUPAC Name2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine
SMILESNCCc1nn2c(-c3ccc(F)cc3)nnc2s1
InChIInChI=1S/C11H10FN5S/c12-8-3-1-7(2-4-8)10-14-15-11-17(10)16-9(18-11)5-6-13/h1-4H,5-6,13H2
InChIKeyDAZQTAYYMWHHEG-UHFFFAOYSA-N
XLogP1.49
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine?
The IUPAC name of 2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine (CID 28912017) is 2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine is NCCc1nn2c(-c3ccc(F)cc3)nnc2s1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine?
The InChIKey is DAZQTAYYMWHHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5S/c12-8-3-1-7(2-4-8)10-14-15-11-17(10)16-9(18-11)5-6-13/h1-4H,5-6,13H2.
What are the key properties of 2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine?
2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine has a molecular weight of 263.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine is sourced from PubChem (CID 28912017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).