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

C12H11N3O2S — CID 62716470

IUPAC3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2nc(-c3ccco3)no2)c1C
InChIInChI=1S/C12H11N3O2S/c1-6-7(2)18-10(13)9(6)12-14-11(15-17-12)8-4-3-5-16-8/h3-5H,13H2,1-2H3
InChIKeyRXAFXUMESLQFRQ-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.26
Rot. Bonds2

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

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine (PubChem CID 62716470) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
PubChem CID62716470
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2nc(-c3ccco3)no2)c1C
InChIInChI=1S/C12H11N3O2S/c1-6-7(2)18-10(13)9(6)12-14-11(15-17-12)8-4-3-5-16-8/h3-5H,13H2,1-2H3
InChIKeyRXAFXUMESLQFRQ-UHFFFAOYSA-N
XLogP3.26
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine (CID 62716470) is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine is Cc1sc(N)c(-c2nc(-c3ccco3)no2)c1C.
What is the InChIKey of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The InChIKey is RXAFXUMESLQFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-6-7(2)18-10(13)9(6)12-14-11(15-17-12)8-4-3-5-16-8/h3-5H,13H2,1-2H3.
What are the key properties of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine has a molecular weight of 261.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 62716470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).