5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide

C10H15N5OS — CID 3001175

IUPAC5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide
SMILESCCN(CC)c1nc(C(N)=S)cnc1C(N)=O
InChIInChI=1S/C10H15N5OS/c1-3-15(4-2)10-7(8(11)16)13-5-6(14-10)9(12)17/h5H,3-4H2,1-2H3,(H2,11,16)(H2,12,17)
InChIKeyYCGAHGCNNRLQNC-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.06
Rot. Bonds5

About 5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide

5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide (PubChem CID 3001175) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide
PubChem CID3001175
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide
SMILESCCN(CC)c1nc(C(N)=S)cnc1C(N)=O
InChIInChI=1S/C10H15N5OS/c1-3-15(4-2)10-7(8(11)16)13-5-6(14-10)9(12)17/h5H,3-4H2,1-2H3,(H2,11,16)(H2,12,17)
InChIKeyYCGAHGCNNRLQNC-UHFFFAOYSA-N
XLogP0.06
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.06
H-Bond Donors ≤ 52
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 5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide (CID 3001175) is 5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide is CCN(CC)c1nc(C(N)=S)cnc1C(N)=O.
What is the InChIKey of 5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide?
The InChIKey is YCGAHGCNNRLQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-3-15(4-2)10-7(8(11)16)13-5-6(14-10)9(12)17/h5H,3-4H2,1-2H3,(H2,11,16)(H2,12,17).
What are the key properties of 5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide?
5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 3001175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).