5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C12H12N4OS — CID 136990328

IUPAC5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCCc1cc(-c2nc(-c3ccc[nH]3)no2)c(N)s1
InChIInChI=1S/C12H12N4OS/c1-2-7-6-8(10(13)18-7)12-15-11(16-17-12)9-4-3-5-14-9/h3-6,14H,2,13H2,1H3
InChIKeyIZCIHAMRLUOMKQ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.94
Rot. Bonds3

About 5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 136990328) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID136990328
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCCc1cc(-c2nc(-c3ccc[nH]3)no2)c(N)s1
InChIInChI=1S/C12H12N4OS/c1-2-7-6-8(10(13)18-7)12-15-11(16-17-12)9-4-3-5-14-9/h3-6,14H,2,13H2,1H3
InChIKeyIZCIHAMRLUOMKQ-UHFFFAOYSA-N
XLogP2.94
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 136990328) is 5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is CCc1cc(-c2nc(-c3ccc[nH]3)no2)c(N)s1.
What is the InChIKey of 5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is IZCIHAMRLUOMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-2-7-6-8(10(13)18-7)12-15-11(16-17-12)9-4-3-5-14-9/h3-6,14H,2,13H2,1H3.
What are the key properties of 5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 260.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 136990328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).