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

C12H11N3O2S — CID 63614345

IUPAC5-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCCc1cc(-c2nc(-c3ccco3)no2)c(N)s1
InChIInChI=1S/C12H11N3O2S/c1-2-7-6-8(10(13)18-7)12-14-11(15-17-12)9-4-3-5-16-9/h3-6H,2,13H2,1H3
InChIKeyNIAKEYMSSVMFMM-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.20
Rot. Bonds3

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

5-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 63614345) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID63614345
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name5-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCCc1cc(-c2nc(-c3ccco3)no2)c(N)s1
InChIInChI=1S/C12H11N3O2S/c1-2-7-6-8(10(13)18-7)12-14-11(15-17-12)9-4-3-5-16-9/h3-6H,2,13H2,1H3
InChIKeyNIAKEYMSSVMFMM-UHFFFAOYSA-N
XLogP3.20
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 63614345) is 5-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is CCc1cc(-c2nc(-c3ccco3)no2)c(N)s1.
What is the InChIKey of 5-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is NIAKEYMSSVMFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-2-7-6-8(10(13)18-7)12-14-11(15-17-12)9-4-3-5-16-9/h3-6H,2,13H2,1H3.
What are the key properties of 5-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 261.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 63614345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).