3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide

C12H19N5S — CID 63210825

IUPAC3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide
SMILESCN(CCN1CCCC1)c1nccnc1C(N)=S
InChIInChI=1S/C12H19N5S/c1-16(8-9-17-6-2-3-7-17)12-10(11(13)18)14-4-5-15-12/h4-5H,2-3,6-9H2,1H3,(H2,13,18)
InChIKeyGALSIQREMCMDQI-UHFFFAOYSA-N
MW265.39 g/mol
LogP0.64
Rot. Bonds5

About 3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide

3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide (PubChem CID 63210825) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide
PubChem CID63210825
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide
SMILESCN(CCN1CCCC1)c1nccnc1C(N)=S
InChIInChI=1S/C12H19N5S/c1-16(8-9-17-6-2-3-7-17)12-10(11(13)18)14-4-5-15-12/h4-5H,2-3,6-9H2,1H3,(H2,13,18)
InChIKeyGALSIQREMCMDQI-UHFFFAOYSA-N
XLogP0.64
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl(pentyl)amino]pyrazine-2-carbothioamide
CID 62683933
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide
CID 63234371
3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
CID 114288533
2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarbothioamide
CID 55163227
2-bromo-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarbothioamide
CID 114882394
methyl 2-[(3-carbamothioylpyrazin-2-yl)-methylamino]acetate
CID 62683928
3-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarbothioamide
CID 107108263
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide
CID 63882888
4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 105383617
3-(dipropylamino)pyrazine-2-carbothioamide
CID 62685111
5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66319979
ethyl 2-[(3-carbamothioylpyrazin-2-yl)-methylamino]acetate
CID 55103429

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide?
The IUPAC name of 3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide (CID 63210825) is 3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide.
What is the SMILES notation for 3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide?
The canonical SMILES for 3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide is CN(CCN1CCCC1)c1nccnc1C(N)=S.
What is the InChIKey of 3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide?
The InChIKey is GALSIQREMCMDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-16(8-9-17-6-2-3-7-17)12-10(11(13)18)14-4-5-15-12/h4-5H,2-3,6-9H2,1H3,(H2,13,18).
What are the key properties of 3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide?
3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide has a molecular weight of 265.39 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide is sourced from PubChem (CID 63210825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).