6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine

C14H11FN4OS — CID 43301014

IUPAC6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCc2nc(-c3ccc(F)cc3)no2)nc1
InChIInChI=1S/C14H11FN4OS/c15-10-3-1-9(2-4-10)14-18-12(20-19-14)8-21-13-6-5-11(16)7-17-13/h1-7H,8,16H2
InChIKeyGIFLFRSBYYGPKF-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.15
Rot. Bonds4

About 6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine

6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine (PubChem CID 43301014) has the molecular formula C14H11FN4OS and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine
PubChem CID43301014
Molecular FormulaC14H11FN4OS
Molecular Weight302.33 g/mol
Exact Mass302.06
IUPAC Name6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCc2nc(-c3ccc(F)cc3)no2)nc1
InChIInChI=1S/C14H11FN4OS/c15-10-3-1-9(2-4-10)14-18-12(20-19-14)8-21-13-6-5-11(16)7-17-13/h1-7H,8,16H2
InChIKeyGIFLFRSBYYGPKF-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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Related Compounds

6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine
CID 43301137
5-[[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 46329594
5-[(4-fluorophenyl)sulfanylmethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 55530125
5-[[6-(3-bromophenyl)pyridazin-3-yl]sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 50785995
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propan-1-amine
CID 66218111
3-(1,3-benzodioxol-5-yl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 50786108
5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250103
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-amine
CID 8523070
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 65285630
5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249825
3-(2-chlorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 50786090
3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
CID 43241511

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine (CID 43301014) is 6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine is Nc1ccc(SCc2nc(-c3ccc(F)cc3)no2)nc1.
What is the InChIKey of 6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine?
The InChIKey is GIFLFRSBYYGPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4OS/c15-10-3-1-9(2-4-10)14-18-12(20-19-14)8-21-13-6-5-11(16)7-17-13/h1-7H,8,16H2.
What are the key properties of 6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine?
6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-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 6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43301014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).