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

2-Methyl-3-(piperazin-1-yl)pyrazine
CID 45099710
N,N,3-Trimethylpyrazin-2-amine
CID 44327689
2-Pyrazinecarbothioamide, 3-amino-
CID 62685118
6-(2-Methylpiperidinyl)-2-pyrazinecarbothioamide
CID 3000614
6-(2,6-Dimethylmorpholin-4-yl)pyrazine-2-carbothioamide
CID 3000615
6-Imidazol-1-ylpyrazine-2-carbothioamide
CID 3002340
3-amino-N-methylpyrazine-2-carbothioamide
CID 10630935
1-Ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 10823168
3-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-N,N-diethyl-1-propanamine
CID 29188695
1-((3-Amino-6-chloropyrazin-2-yl)methyl)-3-(3-(diethylamino)propyl)thiourea
CID 54585308
Pteridine-2(1H)-thione
CID 14712407
3-(Aminomethyl)pyrazin-2-amine
CID 15937826

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).