3-amino-N-methylpyrazine-2-carbothioamide

C6H8N4S — CID 10630935

IUPAC3-amino-N-methylpyrazine-2-carbothioamide
SMILESCNC(=S)c1nccnc1N
InChIInChI=1S/C6H8N4S/c1-8-6(11)4-5(7)10-3-2-9-4/h2-3H,1H3,(H2,7,10)(H,8,11)
InChIKeyHQPMZDTTZSLKKL-UHFFFAOYSA-N
MW168.23 g/mol
LogP-0.05
Rot. Bonds1

About 3-amino-N-methylpyrazine-2-carbothioamide

3-amino-N-methylpyrazine-2-carbothioamide (PubChem CID 10630935) has the molecular formula C6H8N4S and a molecular weight of 168.23 g/mol. Its IUPAC name is 3-amino-N-methylpyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-amino-N-methylpyrazine-2-carbothioamide
PubChem CID10630935
Molecular FormulaC6H8N4S
Molecular Weight168.23 g/mol
Exact Mass168.05
IUPAC Name3-amino-N-methylpyrazine-2-carbothioamide
SMILESCNC(=S)c1nccnc1N
InChIInChI=1S/C6H8N4S/c1-8-6(11)4-5(7)10-3-2-9-4/h2-3H,1H3,(H2,7,10)(H,8,11)
InChIKeyHQPMZDTTZSLKKL-UHFFFAOYSA-N
XLogP-0.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 5-0.05
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 3-amino-N-methylpyrazine-2-carbothioamide?
The IUPAC name of 3-amino-N-methylpyrazine-2-carbothioamide (CID 10630935) is 3-amino-N-methylpyrazine-2-carbothioamide.
What is the SMILES notation for 3-amino-N-methylpyrazine-2-carbothioamide?
The canonical SMILES for 3-amino-N-methylpyrazine-2-carbothioamide is CNC(=S)c1nccnc1N.
What is the InChIKey of 3-amino-N-methylpyrazine-2-carbothioamide?
The InChIKey is HQPMZDTTZSLKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S/c1-8-6(11)4-5(7)10-3-2-9-4/h2-3H,1H3,(H2,7,10)(H,8,11).
What are the key properties of 3-amino-N-methylpyrazine-2-carbothioamide?
3-amino-N-methylpyrazine-2-carbothioamide has a molecular weight of 168.23 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methylpyrazine-2-carbothioamide is sourced from PubChem (CID 10630935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).