N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine

C9H11N3O2S — CID 62596162

IUPACN-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(-c2ccsc2)no1
InChIInChI=1S/C9H11N3O2S/c1-13-4-3-10-9-11-8(12-14-9)7-2-5-15-6-7/h2,5-6H,3-4H2,1H3,(H,10,11,12)
InChIKeyUELNDZPXLJKFJD-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.86
Rot. Bonds5

About N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine

N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine (PubChem CID 62596162) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine
PubChem CID62596162
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC NameN-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(-c2ccsc2)no1
InChIInChI=1S/C9H11N3O2S/c1-13-4-3-10-9-11-8(12-14-9)7-2-5-15-6-7/h2,5-6H,3-4H2,1H3,(H,10,11,12)
InChIKeyUELNDZPXLJKFJD-UHFFFAOYSA-N
XLogP1.86
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine (CID 62596162) is N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine is COCCNc1nc(-c2ccsc2)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is UELNDZPXLJKFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-13-4-3-10-9-11-8(12-14-9)7-2-5-15-6-7/h2,5-6H,3-4H2,1H3,(H,10,11,12).
What are the key properties of N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine?
N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 225.27 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62596162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).