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

C16H14N6O3S — CID 20904532

IUPAC3-(3,5-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESCOc1cc(OC)cc(-n2nnc(-c3nc(-c4cccs4)no3)c2N)c1
InChIInChI=1S/C16H14N6O3S/c1-23-10-6-9(7-11(8-10)24-2)22-14(17)13(19-21-22)16-18-15(20-25-16)12-4-3-5-26-12/h3-8H,17H2,1-2H3
InChIKeySEXXEOINTVNOOS-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.65
Rot. Bonds5

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

3-(3,5-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine (PubChem CID 20904532) has the molecular formula C16H14N6O3S and a molecular weight of 370.39 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
PubChem CID20904532
Molecular FormulaC16H14N6O3S
Molecular Weight370.39 g/mol
Exact Mass370.08
IUPAC Name3-(3,5-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESCOc1cc(OC)cc(-n2nnc(-c3nc(-c4cccs4)no3)c2N)c1
InChIInChI=1S/C16H14N6O3S/c1-23-10-6-9(7-11(8-10)24-2)22-14(17)13(19-21-22)16-18-15(20-25-16)12-4-3-5-26-12/h3-8H,17H2,1-2H3
InChIKeySEXXEOINTVNOOS-UHFFFAOYSA-N
XLogP2.65
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine (CID 20904532) is 3-(3,5-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine is COc1cc(OC)cc(-n2nnc(-c3nc(-c4cccs4)no3)c2N)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The InChIKey is SEXXEOINTVNOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3S/c1-23-10-6-9(7-11(8-10)24-2)22-14(17)13(19-21-22)16-18-15(20-25-16)12-4-3-5-26-12/h3-8H,17H2,1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
3-(3,5-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine has a molecular weight of 370.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine is sourced from PubChem (CID 20904532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).