3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine

C16H14N6O2S — CID 20904536

IUPAC3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESCCOc1ccccc1-n1nnc(-c2nc(-c3cccs3)no2)c1N
InChIInChI=1S/C16H14N6O2S/c1-2-23-11-7-4-3-6-10(11)22-14(17)13(19-21-22)16-18-15(20-24-16)12-8-5-9-25-12/h3-9H,2,17H2,1H3
InChIKeyIMYJKKHRINDSAP-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.03
Rot. Bonds5

About 3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine

3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine (PubChem CID 20904536) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
PubChem CID20904536
Molecular FormulaC16H14N6O2S
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC Name3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESCCOc1ccccc1-n1nnc(-c2nc(-c3cccs3)no2)c1N
InChIInChI=1S/C16H14N6O2S/c1-2-23-11-7-4-3-6-10(11)22-14(17)13(19-21-22)16-18-15(20-24-16)12-8-5-9-25-12/h3-9H,2,17H2,1H3
InChIKeyIMYJKKHRINDSAP-UHFFFAOYSA-N
XLogP3.03
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-(3-methoxyphenyl)-4-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-5-amine
CID 16019650
1-(4-methoxyphenyl)-4-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-5-amine
CID 16019646
1-(2-ethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-5-amine
CID 16019918
1-(3,4-dimethoxyphenyl)-4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
CID 16019648
1-(3,5-dimethoxyphenyl)-4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
CID 20904532
3-[5-Amino-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]phenol
CID 145980533
3-(2-Methoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 145986855
5-[1-(3-Methoxyphenyl)triazol-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 145988246
3-(3-Prop-2-ynoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 145991433
5-(3-Thiophen-2-yl-1,2,4-oxadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazol-4-amine
CID 145994009
3-(4-Prop-2-ynoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 145994260
1-(2-ethoxyphenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
CID 7470734

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The IUPAC name of 3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine (CID 20904536) is 3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine.
What is the SMILES notation for 3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The canonical SMILES for 3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine is CCOc1ccccc1-n1nnc(-c2nc(-c3cccs3)no2)c1N.
What is the InChIKey of 3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The InChIKey is IMYJKKHRINDSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S/c1-2-23-11-7-4-3-6-10(11)22-14(17)13(19-21-22)16-18-15(20-24-16)12-8-5-9-25-12/h3-9H,2,17H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine has a molecular weight of 354.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine is sourced from PubChem (CID 20904536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).