3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide

C13H23N5S — CID 55102943

IUPAC3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide
SMILESCC(C)N(CCNc1nccnc1C(N)=S)C(C)C
InChIInChI=1S/C13H23N5S/c1-9(2)18(10(3)4)8-7-17-13-11(12(14)19)15-5-6-16-13/h5-6,9-10H,7-8H2,1-4H3,(H2,14,19)(H,16,17)
InChIKeyOALKEECNZOGESC-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.64
Rot. Bonds7

About 3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide

3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide (PubChem CID 55102943) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide
PubChem CID55102943
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide
SMILESCC(C)N(CCNc1nccnc1C(N)=S)C(C)C
InChIInChI=1S/C13H23N5S/c1-9(2)18(10(3)4)8-7-17-13-11(12(14)19)15-5-6-16-13/h5-6,9-10H,7-8H2,1-4H3,(H2,14,19)(H,16,17)
InChIKeyOALKEECNZOGESC-UHFFFAOYSA-N
XLogP1.64
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.64
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-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide
CID 62684601
3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide
CID 62684277
3-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2,3-diamine
CID 103633778
3-[(3-methyl-2-propan-2-ylbutyl)amino]pyrazine-2-carbothioamide
CID 102906274
3-[2-[2-(dimethylamino)ethoxy]ethylamino]pyrazine-2-carbothioamide
CID 114127823
3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide
CID 106339226
3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide
CID 115505522
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
CID 30480999
3-(3-ethylpentan-2-ylamino)pyrazine-2-carbothioamide
CID 63836391
4-[2-[di(propan-2-yl)amino]ethylamino]-3,5-difluorobenzenecarbothioamide
CID 81286900
3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carbothioamide
CID 55102991
3-(1-methylsulfonylpropan-2-ylamino)pyrazine-2-carbothioamide
CID 64643990

Frequently Asked Questions

What is the IUPAC name of 3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide?
The IUPAC name of 3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide (CID 55102943) is 3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide.
What is the SMILES notation for 3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide?
The canonical SMILES for 3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide is CC(C)N(CCNc1nccnc1C(N)=S)C(C)C.
What is the InChIKey of 3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide?
The InChIKey is OALKEECNZOGESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-9(2)18(10(3)4)8-7-17-13-11(12(14)19)15-5-6-16-13/h5-6,9-10H,7-8H2,1-4H3,(H2,14,19)(H,16,17).
What are the key properties of 3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide?
3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide has a molecular weight of 281.43 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide is sourced from PubChem (CID 55102943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).