5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine

C18H14FN5OS — CID 28736766

IUPAC5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
SMILESFc1ccccc1-c1noc(-c2ccc(NCCc3cscn3)nc2)n1
InChIInChI=1S/C18H14FN5OS/c19-15-4-2-1-3-14(15)17-23-18(25-24-17)12-5-6-16(21-9-12)20-8-7-13-10-26-11-22-13/h1-6,9-11H,7-8H2,(H,20,21)
InChIKeyQHPHLSGFXSRIPT-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.05
Rot. Bonds6

About 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine

5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 28736766) has the molecular formula C18H14FN5OS and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
PubChem CID28736766
Molecular FormulaC18H14FN5OS
Molecular Weight367.41 g/mol
Exact Mass367.09
IUPAC Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
SMILESFc1ccccc1-c1noc(-c2ccc(NCCc3cscn3)nc2)n1
InChIInChI=1S/C18H14FN5OS/c19-15-4-2-1-3-14(15)17-23-18(25-24-17)12-5-6-16(21-9-12)20-8-7-13-10-26-11-22-13/h1-6,9-11H,7-8H2,(H,20,21)
InChIKeyQHPHLSGFXSRIPT-UHFFFAOYSA-N
XLogP4.05
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine (CID 28736766) is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine is Fc1ccccc1-c1noc(-c2ccc(NCCc3cscn3)nc2)n1.
What is the InChIKey of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is QHPHLSGFXSRIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5OS/c19-15-4-2-1-3-14(15)17-23-18(25-24-17)12-5-6-16(21-9-12)20-8-7-13-10-26-11-22-13/h1-6,9-11H,7-8H2,(H,20,21).
What are the key properties of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 367.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 28736766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).