6-(methylamino)pyrazine-2-carbothioamide

C6H8N4S — CID 818292

IUPAC6-(methylamino)pyrazine-2-carbothioamide
SMILESCNc1cncc(C(N)=S)n1
InChIInChI=1S/C6H8N4S/c1-8-5-3-9-2-4(10-5)6(7)11/h2-3H,1H3,(H2,7,11)(H,8,10)
InChIKeyNKPMBHGWKFGYLR-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.15
Rot. Bonds2

About 6-(methylamino)pyrazine-2-carbothioamide

6-(methylamino)pyrazine-2-carbothioamide (PubChem CID 818292) has the molecular formula C6H8N4S and a molecular weight of 168.22 g/mol. Its IUPAC name is 6-(methylamino)pyrazine-2-carbothioamide.

Molecular Properties

Compound Name6-(methylamino)pyrazine-2-carbothioamide
PubChem CID818292
Molecular FormulaC6H8N4S
Molecular Weight168.22 g/mol
Exact Mass168.05
IUPAC Name6-(methylamino)pyrazine-2-carbothioamide
SMILESCNc1cncc(C(N)=S)n1
InChIInChI=1S/C6H8N4S/c1-8-5-3-9-2-4(10-5)6(7)11/h2-3H,1H3,(H2,7,11)(H,8,10)
InChIKeyNKPMBHGWKFGYLR-UHFFFAOYSA-N
XLogP0.15
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(methylamino)pyrazine-2-carbothioamide?
The IUPAC name of 6-(methylamino)pyrazine-2-carbothioamide (CID 818292) is 6-(methylamino)pyrazine-2-carbothioamide.
What is the SMILES notation for 6-(methylamino)pyrazine-2-carbothioamide?
The canonical SMILES for 6-(methylamino)pyrazine-2-carbothioamide is CNc1cncc(C(N)=S)n1.
What is the InChIKey of 6-(methylamino)pyrazine-2-carbothioamide?
The InChIKey is NKPMBHGWKFGYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S/c1-8-5-3-9-2-4(10-5)6(7)11/h2-3H,1H3,(H2,7,11)(H,8,10).
What are the key properties of 6-(methylamino)pyrazine-2-carbothioamide?
6-(methylamino)pyrazine-2-carbothioamide has a molecular weight of 168.22 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)pyrazine-2-carbothioamide is sourced from PubChem (CID 818292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).