5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide

C9H11N5OS — CID 6474475

IUPAC5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide
SMILESC/C=C/Nc1nc(C(N)=S)cnc1C(N)=O
InChIInChI=1S/C9H11N5OS/c1-2-3-12-9-6(7(10)15)13-4-5(14-9)8(11)16/h2-4H,1H3,(H2,10,15)(H2,11,16)(H,12,14)/b3-2+
InChIKeySUXJXNPZMMXYFS-NSCUHMNNSA-N
MW237.29 g/mol
LogP0.16
Rot. Bonds4

About 5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide

5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide (PubChem CID 6474475) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide
PubChem CID6474475
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide
SMILESC/C=C/Nc1nc(C(N)=S)cnc1C(N)=O
InChIInChI=1S/C9H11N5OS/c1-2-3-12-9-6(7(10)15)13-4-5(14-9)8(11)16/h2-4H,1H3,(H2,10,15)(H2,11,16)(H,12,14)/b3-2+
InChIKeySUXJXNPZMMXYFS-NSCUHMNNSA-N
XLogP0.16
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.16
H-Bond Donors ≤ 53
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-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide (CID 6474475) is 5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide is C/C=C/Nc1nc(C(N)=S)cnc1C(N)=O.
What is the InChIKey of 5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide?
The InChIKey is SUXJXNPZMMXYFS-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-2-3-12-9-6(7(10)15)13-4-5(14-9)8(11)16/h2-4H,1H3,(H2,10,15)(H2,11,16)(H,12,14)/b3-2+.
What are the key properties of 5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide?
5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 6474475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).