3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide

C13H20N4S — CID 83055369

IUPAC3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide
SMILESCCCC1CCCCN1c1nccnc1C(N)=S
InChIInChI=1S/C13H20N4S/c1-2-5-10-6-3-4-9-17(10)13-11(12(14)18)15-7-8-16-13/h7-8,10H,2-6,9H2,1H3,(H2,14,18)
InChIKeyPHLKZARBRHLPNN-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.27
Rot. Bonds4

About 3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide

3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide (PubChem CID 83055369) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide
PubChem CID83055369
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide
SMILESCCCC1CCCCN1c1nccnc1C(N)=S
InChIInChI=1S/C13H20N4S/c1-2-5-10-6-3-4-9-17(10)13-11(12(14)18)15-7-8-16-13/h7-8,10H,2-6,9H2,1H3,(H2,14,18)
InChIKeyPHLKZARBRHLPNN-UHFFFAOYSA-N
XLogP2.27
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-propylpiperidin-1-yl)pyrazin-2-amine
CID 104577126
3-amino-2-(2-propylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 83061885
3-(2-propylpiperidin-1-yl)pyridine-2-carboximidamide
CID 83055621
2-[1-(3-methylpyrazin-2-yl)piperidin-2-yl]ethanol
CID 83064794
2,3-difluoro-4-(2-propylpiperidin-1-yl)benzenecarbothioamide
CID 107935188
3-pyrrolidin-1-ylpyrazine-2-carbothioamide
CID 15564003
5-bromo-2-(2-propylpiperidin-1-yl)pyridin-3-amine
CID 83052128
5-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine
CID 83057694
5-methyl-6-(2-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 83055806
2-propylpiperidine-1-carbothioamide
CID 83053270
5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine
CID 104844386
5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine
CID 83056222

Frequently Asked Questions

What is the IUPAC name of 3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide?
The IUPAC name of 3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide (CID 83055369) is 3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide.
What is the SMILES notation for 3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide?
The canonical SMILES for 3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide is CCCC1CCCCN1c1nccnc1C(N)=S.
What is the InChIKey of 3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide?
The InChIKey is PHLKZARBRHLPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-2-5-10-6-3-4-9-17(10)13-11(12(14)18)15-7-8-16-13/h7-8,10H,2-6,9H2,1H3,(H2,14,18).
What are the key properties of 3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide?
3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide has a molecular weight of 264.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylpiperidin-1-yl)pyrazine-2-carbothioamide is sourced from PubChem (CID 83055369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).