5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole

C10H4FIN2OS — CID 112572205

IUPAC5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole
SMILESFc1ccc2cc(-c3nc(I)no3)sc2c1
InChIInChI=1S/C10H4FIN2OS/c11-6-2-1-5-3-8(16-7(5)4-6)9-13-10(12)14-15-9/h1-4H
InChIKeyFQDGNQALSVTJTD-UHFFFAOYSA-N
MW346.12 g/mol
LogP3.69
Rot. Bonds1

About 5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole

5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole (PubChem CID 112572205) has the molecular formula C10H4FIN2OS and a molecular weight of 346.12 g/mol. Its IUPAC name is 5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole
PubChem CID112572205
Molecular FormulaC10H4FIN2OS
Molecular Weight346.12 g/mol
Exact Mass345.91
IUPAC Name5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole
SMILESFc1ccc2cc(-c3nc(I)no3)sc2c1
InChIInChI=1S/C10H4FIN2OS/c11-6-2-1-5-3-8(16-7(5)4-6)9-13-10(12)14-15-9/h1-4H
InChIKeyFQDGNQALSVTJTD-UHFFFAOYSA-N
XLogP3.69
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.12
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 81105813
3-(1-chlorobutyl)-5-(6-fluoro-1-benzothiophen-2-yl)-1,2,4-oxadiazole
CID 103095933
2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 81104678
6-fluoro-1-benzothiophen-2-amine
CID 82597319
5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine
CID 81104224
5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
CID 112571951
N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 81105824
2-[[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 81105481
[6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine
CID 115110744
4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084823
1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 81104964
3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid
CID 83035556

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole?
The IUPAC name of 5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole (CID 112572205) is 5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole is Fc1ccc2cc(-c3nc(I)no3)sc2c1.
What is the InChIKey of 5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole?
The InChIKey is FQDGNQALSVTJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4FIN2OS/c11-6-2-1-5-3-8(16-7(5)4-6)9-13-10(12)14-15-9/h1-4H.
What are the key properties of 5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole?
5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole has a molecular weight of 346.12 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole is sourced from PubChem (CID 112572205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).