3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide

C11H18N4O2S — CID 55172286

IUPAC3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide
SMILESCOCCN(CCC(N)=S)c1nccn(C)c1=O
InChIInChI=1S/C11H18N4O2S/c1-14-6-4-13-10(11(14)16)15(7-8-17-2)5-3-9(12)18/h4,6H,3,5,7-8H2,1-2H3,(H2,12,18)
InChIKeyBJLFRPZJHRWVMX-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.09
Rot. Bonds7

About 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide

3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide (PubChem CID 55172286) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide.

Molecular Properties

Compound Name3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide
PubChem CID55172286
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide
SMILESCOCCN(CCC(N)=S)c1nccn(C)c1=O
InChIInChI=1S/C11H18N4O2S/c1-14-6-4-13-10(11(14)16)15(7-8-17-2)5-3-9(12)18/h4,6H,3,5,7-8H2,1-2H3,(H2,12,18)
InChIKeyBJLFRPZJHRWVMX-UHFFFAOYSA-N
XLogP-0.09
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide 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-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide?
The IUPAC name of 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide (CID 55172286) is 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide.
What is the SMILES notation for 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide?
The canonical SMILES for 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide is COCCN(CCC(N)=S)c1nccn(C)c1=O.
What is the InChIKey of 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide?
The InChIKey is BJLFRPZJHRWVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-14-6-4-13-10(11(14)16)15(7-8-17-2)5-3-9(12)18/h4,6H,3,5,7-8H2,1-2H3,(H2,12,18).
What are the key properties of 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide?
3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide has a molecular weight of 270.36 g/mol, XLogP of -0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide is sourced from PubChem (CID 55172286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).