5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid

C9H9N3O3S — CID 112631981

IUPAC5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCCc1cc(-c2nc(C(=O)O)no2)c(N)s1
InChIInChI=1S/C9H9N3O3S/c1-2-4-3-5(6(10)16-4)8-11-7(9(13)14)12-15-8/h3H,2,10H2,1H3,(H,13,14)
InChIKeyGJFVSSSEGKVSDH-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.64
Rot. Bonds3

About 5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid

5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112631981) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112631981
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCCc1cc(-c2nc(C(=O)O)no2)c(N)s1
InChIInChI=1S/C9H9N3O3S/c1-2-4-3-5(6(10)16-4)8-11-7(9(13)14)12-15-8/h3H,2,10H2,1H3,(H,13,14)
InChIKeyGJFVSSSEGKVSDH-UHFFFAOYSA-N
XLogP1.64
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799523
5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63615796
5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104672245
5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790421
5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65196364
5-ethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65329640
5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 136990328
5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 116702712
5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 115528772
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine
CID 116740708
5-ethyl-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103372920
5-ethyl-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103594965

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid (CID 112631981) is 5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid is CCc1cc(-c2nc(C(=O)O)no2)c(N)s1.
What is the InChIKey of 5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is GJFVSSSEGKVSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c1-2-4-3-5(6(10)16-4)8-11-7(9(13)14)12-15-8/h3H,2,10H2,1H3,(H,13,14).
What are the key properties of 5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 239.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112631981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).