6-(propan-2-ylamino)pyrazine-2-carbothioamide

C8H12N4S — CID 13338970

IUPAC6-(propan-2-ylamino)pyrazine-2-carbothioamide
SMILESCC(C)Nc1cncc(C(N)=S)n1
InChIInChI=1S/C8H12N4S/c1-5(2)11-7-4-10-3-6(12-7)8(9)13/h3-5H,1-2H3,(H2,9,13)(H,11,12)
InChIKeyQSNXUQKSJRYZFV-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.93
Rot. Bonds3

About 6-(propan-2-ylamino)pyrazine-2-carbothioamide

6-(propan-2-ylamino)pyrazine-2-carbothioamide (PubChem CID 13338970) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 6-(propan-2-ylamino)pyrazine-2-carbothioamide.

Molecular Properties

Compound Name6-(propan-2-ylamino)pyrazine-2-carbothioamide
PubChem CID13338970
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name6-(propan-2-ylamino)pyrazine-2-carbothioamide
SMILESCC(C)Nc1cncc(C(N)=S)n1
InChIInChI=1S/C8H12N4S/c1-5(2)11-7-4-10-3-6(12-7)8(9)13/h3-5H,1-2H3,(H2,9,13)(H,11,12)
InChIKeyQSNXUQKSJRYZFV-UHFFFAOYSA-N
XLogP0.93
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(propan-2-ylamino)pyrazine-2-carbothioamide 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 6-(propan-2-ylamino)pyrazine-2-carbothioamide?
The IUPAC name of 6-(propan-2-ylamino)pyrazine-2-carbothioamide (CID 13338970) is 6-(propan-2-ylamino)pyrazine-2-carbothioamide.
What is the SMILES notation for 6-(propan-2-ylamino)pyrazine-2-carbothioamide?
The canonical SMILES for 6-(propan-2-ylamino)pyrazine-2-carbothioamide is CC(C)Nc1cncc(C(N)=S)n1.
What is the InChIKey of 6-(propan-2-ylamino)pyrazine-2-carbothioamide?
The InChIKey is QSNXUQKSJRYZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c1-5(2)11-7-4-10-3-6(12-7)8(9)13/h3-5H,1-2H3,(H2,9,13)(H,11,12).
What are the key properties of 6-(propan-2-ylamino)pyrazine-2-carbothioamide?
6-(propan-2-ylamino)pyrazine-2-carbothioamide has a molecular weight of 196.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)pyrazine-2-carbothioamide is sourced from PubChem (CID 13338970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).