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

C9H10IN3OS — CID 79684730

IUPAC2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(CN)c1noc(-c2csc(I)c2)n1
InChIInChI=1S/C9H10IN3OS/c1-5(3-11)8-12-9(14-13-8)6-2-7(10)15-4-6/h2,4-5H,3,11H2,1H3
InChIKeyGKRSECJFAITSFP-UHFFFAOYSA-N
MW335.17 g/mol
LogP2.46
Rot. Bonds3

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

2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 79684730) has the molecular formula C9H10IN3OS and a molecular weight of 335.17 g/mol. Its IUPAC name is 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID79684730
Molecular FormulaC9H10IN3OS
Molecular Weight335.17 g/mol
Exact Mass334.96
IUPAC Name2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(CN)c1noc(-c2csc(I)c2)n1
InChIInChI=1S/C9H10IN3OS/c1-5(3-11)8-12-9(14-13-8)6-2-7(10)15-4-6/h2,4-5H,3,11H2,1H3
InChIKeyGKRSECJFAITSFP-UHFFFAOYSA-N
XLogP2.46
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 52.46
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 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 79684730) is 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC(CN)c1noc(-c2csc(I)c2)n1.
What is the InChIKey of 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is GKRSECJFAITSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3OS/c1-5(3-11)8-12-9(14-13-8)6-2-7(10)15-4-6/h2,4-5H,3,11H2,1H3.
What are the key properties of 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 335.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 79684730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).