5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide

C10H13N5OS — CID 3001393

IUPAC5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide
SMILESNC(=O)c1ncc(C(N)=S)nc1N1CCCC1
InChIInChI=1S/C10H13N5OS/c11-8(16)7-10(15-3-1-2-4-15)14-6(5-13-7)9(12)17/h5H,1-4H2,(H2,11,16)(H2,12,17)
InChIKeyOCEPQDPQQIZZBZ-UHFFFAOYSA-N
MW251.31 g/mol
LogP-0.19
Rot. Bonds3

About 5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide

5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide (PubChem CID 3001393) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide
PubChem CID3001393
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide
SMILESNC(=O)c1ncc(C(N)=S)nc1N1CCCC1
InChIInChI=1S/C10H13N5OS/c11-8(16)7-10(15-3-1-2-4-15)14-6(5-13-7)9(12)17/h5H,1-4H2,(H2,11,16)(H2,12,17)
InChIKeyOCEPQDPQQIZZBZ-UHFFFAOYSA-N
XLogP-0.19
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-pyrrolidin-1-ylpyrazine-2-carbothioamide
CID 15564003
6-pyrrolidin-1-ylpyrazine-2-carbothioamide
CID 1282528
3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide
CID 102060931
2-(azepan-1-yl)pyrimidine-4-carbothioamide
CID 107546180
5-(azepan-1-yl)-6-methylpyrazine-2-carboxylic acid
CID 83841868
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
6-pyrrolidin-1-ylpyrimidine-4-carbothioamide
CID 130551236
5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide
CID 114406478
2-(azepan-1-yl)-1,3-thiazole-4-carbothioamide
CID 82514827
4-piperidin-1-ylpyridine-2-carbothioamide
CID 3002239
3,6-diacetylpyrazine-2-carboxamide
CID 155203547
5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide
CID 155269546

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide (CID 3001393) is 5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide is NC(=O)c1ncc(C(N)=S)nc1N1CCCC1.
What is the InChIKey of 5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide?
The InChIKey is OCEPQDPQQIZZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c11-8(16)7-10(15-3-1-2-4-15)14-6(5-13-7)9(12)17/h5H,1-4H2,(H2,11,16)(H2,12,17).
What are the key properties of 5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide?
5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide has a molecular weight of 251.31 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 3001393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).