5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C10H14N4OS — CID 116799523

IUPAC5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCCc1cc(-c2nc(N(C)C)no2)c(N)s1
InChIInChI=1S/C10H14N4OS/c1-4-6-5-7(8(11)16-6)9-12-10(13-15-9)14(2)3/h5H,4,11H2,1-3H3
InChIKeyGKUROXGBQLCFJB-UHFFFAOYSA-N
MW238.32 g/mol
LogP2.01
Rot. Bonds3

About 5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 116799523) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID116799523
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCCc1cc(-c2nc(N(C)C)no2)c(N)s1
InChIInChI=1S/C10H14N4OS/c1-4-6-5-7(8(11)16-6)9-12-10(13-15-9)14(2)3/h5H,4,11H2,1-3H3
InChIKeyGKUROXGBQLCFJB-UHFFFAOYSA-N
XLogP2.01
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 116799523) is 5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CCc1cc(-c2nc(N(C)C)no2)c(N)s1.
What is the InChIKey of 5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is GKUROXGBQLCFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-4-6-5-7(8(11)16-6)9-12-10(13-15-9)14(2)3/h5H,4,11H2,1-3H3.
What are the key properties of 5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 238.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116799523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).