3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine

C11H10N6OS — CID 55169574

IUPAC3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESCc1csc(Cc2noc(-c3nccnc3N)n2)n1
InChIInChI=1S/C11H10N6OS/c1-6-5-19-8(15-6)4-7-16-11(18-17-7)9-10(12)14-3-2-13-9/h2-3,5H,4H2,1H3,(H2,12,14)
InChIKeyXVWJQONOLVHACM-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.46
Rot. Bonds3

About 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine

3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (PubChem CID 55169574) has the molecular formula C11H10N6OS and a molecular weight of 274.31 g/mol. Its IUPAC name is 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
PubChem CID55169574
Molecular FormulaC11H10N6OS
Molecular Weight274.31 g/mol
Exact Mass274.06
IUPAC Name3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESCc1csc(Cc2noc(-c3nccnc3N)n2)n1
InChIInChI=1S/C11H10N6OS/c1-6-5-19-8(15-6)4-7-16-11(18-17-7)9-10(12)14-3-2-13-9/h2-3,5H,4H2,1H3,(H2,12,14)
InChIKeyXVWJQONOLVHACM-UHFFFAOYSA-N
XLogP1.46
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine 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 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The IUPAC name of 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (CID 55169574) is 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The canonical SMILES for 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is Cc1csc(Cc2noc(-c3nccnc3N)n2)n1.
What is the InChIKey of 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The InChIKey is XVWJQONOLVHACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6OS/c1-6-5-19-8(15-6)4-7-16-11(18-17-7)9-10(12)14-3-2-13-9/h2-3,5H,4H2,1H3,(H2,12,14).
What are the key properties of 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine has a molecular weight of 274.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is sourced from PubChem (CID 55169574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).