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'}

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Related Compounds

3-[2-methoxyethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanethioamide
CID 63285373
3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76994064
3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide
CID 62940592
3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62684960
3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 113468467
3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one
CID 63766845
N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide
CID 76981244
3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 63287336
3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one
CID 62940454
3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile
CID 63286547
methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62940103
methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 115538155

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).