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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Related Compounds

3-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 66067659
4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66064570
[4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324949
4-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65136886
(1S)-3-amino-1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837059
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 79078348
2-[[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetonitrile
CID 106525636
4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 66069584
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 113291100
[4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324906
4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106525631
2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743031

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).