5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol

C10H9FN2OS — CID 70639287

IUPAC5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol
SMILESCCc1nc(-c2ccc(F)c(S)c2)no1
InChIInChI=1S/C10H9FN2OS/c1-2-9-12-10(13-14-9)6-3-4-7(11)8(15)5-6/h3-5,15H,2H2,1H3
InChIKeyXWGXRXQKQRBTBJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.73
Rot. Bonds2

About 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol

5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol (PubChem CID 70639287) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol.

Molecular Properties

Compound Name5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol
PubChem CID70639287
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol
SMILESCCc1nc(-c2ccc(F)c(S)c2)no1
InChIInChI=1S/C10H9FN2OS/c1-2-9-12-10(13-14-9)6-3-4-7(11)8(15)5-6/h3-5,15H,2H2,1H3
InChIKeyXWGXRXQKQRBTBJ-UHFFFAOYSA-N
XLogP2.73
TPSA38.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 70639306
N-[[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 63094288
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
CID 43658624
2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072269
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 43658638
[(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium
CID 8638317
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 54933411
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 82809468
(3S)-6-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 139331074
4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348448

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol?
The IUPAC name of 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol (CID 70639287) is 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol.
What is the SMILES notation for 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol?
The canonical SMILES for 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol is CCc1nc(-c2ccc(F)c(S)c2)no1.
What is the InChIKey of 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol?
The InChIKey is XWGXRXQKQRBTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-2-9-12-10(13-14-9)6-3-4-7(11)8(15)5-6/h3-5,15H,2H2,1H3.
What are the key properties of 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol?
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol has a molecular weight of 224.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol is sourced from PubChem (CID 70639287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).