1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C8H8IN3OS — CID 79683684

IUPAC1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(-c2csc(I)c2)n1
InChIInChI=1S/C8H8IN3OS/c1-4(10)7-11-8(13-12-7)5-2-6(9)14-3-5/h2-4H,10H2,1H3
InChIKeyQODKXMVVDILVTC-UHFFFAOYSA-N
MW321.14 g/mol
LogP2.42
Rot. Bonds2

About 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine

1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 79683684) has the molecular formula C8H8IN3OS and a molecular weight of 321.14 g/mol. Its IUPAC name is 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID79683684
Molecular FormulaC8H8IN3OS
Molecular Weight321.14 g/mol
Exact Mass320.94
IUPAC Name1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(-c2csc(I)c2)n1
InChIInChI=1S/C8H8IN3OS/c1-4(10)7-11-8(13-12-7)5-2-6(9)14-3-5/h2-4H,10H2,1H3
InChIKeyQODKXMVVDILVTC-UHFFFAOYSA-N
XLogP2.42
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.14
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 79683684) is 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(N)c1noc(-c2csc(I)c2)n1.
What is the InChIKey of 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is QODKXMVVDILVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3OS/c1-4(10)7-11-8(13-12-7)5-2-6(9)14-3-5/h2-4H,10H2,1H3.
What are the key properties of 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 321.14 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 79683684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).