5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide

C10H13N5O2S — CID 3001181

IUPAC5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide
SMILESNC(=O)c1ncc(C(N)=S)nc1N1CCOCC1
InChIInChI=1S/C10H13N5O2S/c11-8(16)7-10(15-1-3-17-4-2-15)14-6(5-13-7)9(12)18/h5H,1-4H2,(H2,11,16)(H2,12,18)
InChIKeyLVBWTUBOMQSHCJ-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.95
Rot. Bonds3

About 5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide

5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide (PubChem CID 3001181) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide
PubChem CID3001181
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide
SMILESNC(=O)c1ncc(C(N)=S)nc1N1CCOCC1
InChIInChI=1S/C10H13N5O2S/c11-8(16)7-10(15-1-3-17-4-2-15)14-6(5-13-7)9(12)18/h5H,1-4H2,(H2,11,16)(H2,12,18)
InChIKeyLVBWTUBOMQSHCJ-UHFFFAOYSA-N
XLogP-0.95
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-morpholin-4-ylpyrazine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide (CID 3001181) is 5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide is NC(=O)c1ncc(C(N)=S)nc1N1CCOCC1.
What is the InChIKey of 5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide?
The InChIKey is LVBWTUBOMQSHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c11-8(16)7-10(15-1-3-17-4-2-15)14-6(5-13-7)9(12)18/h5H,1-4H2,(H2,11,16)(H2,12,18).
What are the key properties of 5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide?
5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide has a molecular weight of 267.31 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 3001181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).