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

C14H11FN4OS — CID 66067859

IUPAC4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1cc(-c2nc(CSc3cccc(F)c3)no2)ccn1
InChIInChI=1S/C14H11FN4OS/c15-10-2-1-3-11(7-10)21-8-13-18-14(20-19-13)9-4-5-17-12(16)6-9/h1-7H,8H2,(H2,16,17)
InChIKeyIHNAQSFLSLUMOE-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.15
Rot. Bonds4

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

4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 66067859) has the molecular formula C14H11FN4OS and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID66067859
Molecular FormulaC14H11FN4OS
Molecular Weight302.33 g/mol
Exact Mass302.06
IUPAC Name4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1cc(-c2nc(CSc3cccc(F)c3)no2)ccn1
InChIInChI=1S/C14H11FN4OS/c15-10-2-1-3-11(7-10)21-8-13-18-14(20-19-13)9-4-5-17-12(16)6-9/h1-7H,8H2,(H2,16,17)
InChIKeyIHNAQSFLSLUMOE-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 4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 66067859) is 4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1cc(-c2nc(CSc3cccc(F)c3)no2)ccn1.
What is the InChIKey of 4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is IHNAQSFLSLUMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4OS/c15-10-2-1-3-11(7-10)21-8-13-18-14(20-19-13)9-4-5-17-12(16)6-9/h1-7H,8H2,(H2,16,17).
What are the key properties of 4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]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 4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 66067859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).