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

C20H18N6O2S — CID 59471691

IUPAC4-[5-amino-6-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCc1csc(-c2nnc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)cnc3N)o2)c1
InChIInChI=1S/C20H18N6O2S/c1-11-8-15(29-10-11)18-24-25-19(28-18)16-17(21)22-9-14(23-16)12-4-6-13(7-5-12)20(27)26(2)3/h4-10H,1-3H3,(H2,21,22)
InChIKeyARZZUQXDJHYCQH-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.51
Rot. Bonds4

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

4-[5-amino-6-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 59471691) has the molecular formula C20H18N6O2S and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-[5-amino-6-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID59471691
Molecular FormulaC20H18N6O2S
Molecular Weight406.47 g/mol
Exact Mass406.12
IUPAC Name4-[5-amino-6-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCc1csc(-c2nnc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)cnc3N)o2)c1
InChIInChI=1S/C20H18N6O2S/c1-11-8-15(29-10-11)18-24-25-19(28-18)16-17(21)22-9-14(23-16)12-4-6-13(7-5-12)20(27)26(2)3/h4-10H,1-3H3,(H2,21,22)
InChIKeyARZZUQXDJHYCQH-UHFFFAOYSA-N
XLogP3.51
TPSA111.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[5-amino-6-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (CID 59471691) is 4-[5-amino-6-[5-(4-methylthiophen-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-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is Cc1csc(-c2nnc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)cnc3N)o2)c1.
What is the InChIKey of 4-[5-amino-6-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is ARZZUQXDJHYCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S/c1-11-8-15(29-10-11)18-24-25-19(28-18)16-17(21)22-9-14(23-16)12-4-6-13(7-5-12)20(27)26(2)3/h4-10H,1-3H3,(H2,21,22).
What are the key properties of 4-[5-amino-6-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
4-[5-amino-6-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 406.47 g/mol, XLogP of 3.51, 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-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59471691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).