6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide

C11H16N4OS — CID 3000615

IUPAC6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide
SMILESCC1CN(c2cncc(C(N)=S)n2)CC(C)O1
InChIInChI=1S/C11H16N4OS/c1-7-5-15(6-8(2)16-7)10-4-13-3-9(14-10)11(12)17/h3-4,7-8H,5-6H2,1-2H3,(H2,12,17)
InChIKeyZWWQOMVAHKUVMR-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.72
Rot. Bonds2

About 6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide

6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide (PubChem CID 3000615) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide
PubChem CID3000615
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide
SMILESCC1CN(c2cncc(C(N)=S)n2)CC(C)O1
InChIInChI=1S/C11H16N4OS/c1-7-5-15(6-8(2)16-7)10-4-13-3-9(14-10)11(12)17/h3-4,7-8H,5-6H2,1-2H3,(H2,12,17)
InChIKeyZWWQOMVAHKUVMR-UHFFFAOYSA-N
XLogP0.72
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide (CID 3000615) is 6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide is CC1CN(c2cncc(C(N)=S)n2)CC(C)O1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide?
The InChIKey is ZWWQOMVAHKUVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7-5-15(6-8(2)16-7)10-4-13-3-9(14-10)11(12)17/h3-4,7-8H,5-6H2,1-2H3,(H2,12,17).
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide?
6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide has a molecular weight of 252.34 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide is sourced from PubChem (CID 3000615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).