4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide

C19H16N6O2S — CID 59471622

IUPAC4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccs4)o3)n2)cc1
InChIInChI=1S/C19H16N6O2S/c1-25(2)19(26)12-7-5-11(6-8-12)13-10-21-16(20)15(22-13)18-24-23-17(27-18)14-4-3-9-28-14/h3-10H,1-2H3,(H2,20,21)
InChIKeyYRNCDOJYYSHDKG-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.21
Rot. Bonds4

About 4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide

4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 59471622) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID59471622
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccs4)o3)n2)cc1
InChIInChI=1S/C19H16N6O2S/c1-25(2)19(26)12-7-5-11(6-8-12)13-10-21-16(20)15(22-13)18-24-23-17(27-18)14-4-3-9-28-14/h3-10H,1-2H3,(H2,20,21)
InChIKeyYRNCDOJYYSHDKG-UHFFFAOYSA-N
XLogP3.21
TPSA111.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide (CID 59471622) is 4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccs4)o3)n2)cc1.
What is the InChIKey of 4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is YRNCDOJYYSHDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-25(2)19(26)12-7-5-11(6-8-12)13-10-21-16(20)15(22-13)18-24-23-17(27-18)14-4-3-9-28-14/h3-10H,1-2H3,(H2,20,21).
What are the key properties of 4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 392.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59471622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).