3-(dipropylamino)pyrazine-2-carbothioamide

C11H18N4S — CID 62685111

IUPAC3-(dipropylamino)pyrazine-2-carbothioamide
SMILESCCCN(CCC)c1nccnc1C(N)=S
InChIInChI=1S/C11H18N4S/c1-3-7-15(8-4-2)11-9(10(12)16)13-5-6-14-11/h5-6H,3-4,7-8H2,1-2H3,(H2,12,16)
InChIKeyAQEPBUYBQBKZAQ-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.74
Rot. Bonds6

About 3-(dipropylamino)pyrazine-2-carbothioamide

3-(dipropylamino)pyrazine-2-carbothioamide (PubChem CID 62685111) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(dipropylamino)pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-(dipropylamino)pyrazine-2-carbothioamide
PubChem CID62685111
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name3-(dipropylamino)pyrazine-2-carbothioamide
SMILESCCCN(CCC)c1nccnc1C(N)=S
InChIInChI=1S/C11H18N4S/c1-3-7-15(8-4-2)11-9(10(12)16)13-5-6-14-11/h5-6H,3-4,7-8H2,1-2H3,(H2,12,16)
InChIKeyAQEPBUYBQBKZAQ-UHFFFAOYSA-N
XLogP1.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.74
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-[cyclopropylmethyl(propyl)amino]pyrazine-2-carbothioamide
CID 55103092
methyl 2-[(3-carbamothioylpyrazin-2-yl)-propylamino]acetate
CID 55102898
3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62684960
2-[(3-carbamothioylpyrazin-2-yl)-ethylamino]acetamide
CID 103102572
3-[methyl(pentyl)amino]pyrazine-2-carbothioamide
CID 62683933
3-[methyl(2-methylbutan-2-yl)amino]pyrazine-2-carbothioamide
CID 63958916
3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62685655
3-[3-hydroxypropyl(propan-2-yl)amino]pyrazine-2-carbothioamide
CID 62684968
ethyl 2-[(3-carbamothioylpyrazin-2-yl)-methylamino]acetate
CID 55103429
3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide
CID 63210825
2-[(3-carbamothioylpyrazin-2-yl)-methylamino]-N-ethylacetamide
CID 62683608
3-propoxypyrazine-2-carbothioamide
CID 62683968

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)pyrazine-2-carbothioamide?
The IUPAC name of 3-(dipropylamino)pyrazine-2-carbothioamide (CID 62685111) is 3-(dipropylamino)pyrazine-2-carbothioamide.
What is the SMILES notation for 3-(dipropylamino)pyrazine-2-carbothioamide?
The canonical SMILES for 3-(dipropylamino)pyrazine-2-carbothioamide is CCCN(CCC)c1nccnc1C(N)=S.
What is the InChIKey of 3-(dipropylamino)pyrazine-2-carbothioamide?
The InChIKey is AQEPBUYBQBKZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-3-7-15(8-4-2)11-9(10(12)16)13-5-6-14-11/h5-6H,3-4,7-8H2,1-2H3,(H2,12,16).
What are the key properties of 3-(dipropylamino)pyrazine-2-carbothioamide?
3-(dipropylamino)pyrazine-2-carbothioamide has a molecular weight of 238.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)pyrazine-2-carbothioamide is sourced from PubChem (CID 62685111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).