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

C14H11FN4OS — CID 43301698

IUPAC5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2nc(-c3ccc(F)cc3)no2)cn1
InChIInChI=1S/C14H11FN4OS/c15-10-3-1-9(2-4-10)14-18-13(20-19-14)8-21-11-5-6-12(16)17-7-11/h1-7H,8H2,(H2,16,17)
InChIKeyUPKANIHXSBQQGT-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.15
Rot. Bonds4

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

5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine (PubChem CID 43301698) has the molecular formula C14H11FN4OS and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine
PubChem CID43301698
Molecular FormulaC14H11FN4OS
Molecular Weight302.33 g/mol
Exact Mass302.06
IUPAC Name5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2nc(-c3ccc(F)cc3)no2)cn1
InChIInChI=1S/C14H11FN4OS/c15-10-3-1-9(2-4-10)14-18-13(20-19-14)8-21-11-5-6-12(16)17-7-11/h1-7H,8H2,(H2,16,17)
InChIKeyUPKANIHXSBQQGT-UHFFFAOYSA-N
XLogP3.15
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine (CID 43301698) is 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine is Nc1ccc(SCc2nc(-c3ccc(F)cc3)no2)cn1.
What is the InChIKey of 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine?
The InChIKey is UPKANIHXSBQQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4OS/c15-10-3-1-9(2-4-10)14-18-13(20-19-14)8-21-11-5-6-12(16)17-7-11/h1-7H,8H2,(H2,16,17).
What are the key properties of 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine?
5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine has a molecular weight of 302.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43301698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).