3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide

C9H15N5S — CID 62684601

IUPAC3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide
SMILESCN(C)CCNc1nccnc1C(N)=S
InChIInChI=1S/C9H15N5S/c1-14(2)6-5-13-9-7(8(10)15)11-3-4-12-9/h3-4H,5-6H2,1-2H3,(H2,10,15)(H,12,13)
InChIKeyXNMVEFRPAXLNKC-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.08
Rot. Bonds5

About 3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide

3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide (PubChem CID 62684601) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide
PubChem CID62684601
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide
SMILESCN(C)CCNc1nccnc1C(N)=S
InChIInChI=1S/C9H15N5S/c1-14(2)6-5-13-9-7(8(10)15)11-3-4-12-9/h3-4H,5-6H2,1-2H3,(H2,10,15)(H,12,13)
InChIKeyXNMVEFRPAXLNKC-UHFFFAOYSA-N
XLogP0.08
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.08
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-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide
CID 62684277
3-[2-[2-(dimethylamino)ethoxy]ethylamino]pyrazine-2-carbothioamide
CID 114127823
3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide
CID 55102943
3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid
CID 62711461
3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide
CID 106339226
3-[(3-methyl-2-propan-2-ylbutyl)amino]pyrazine-2-carbothioamide
CID 102906274
3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carbothioamide
CID 55102991
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
3-[4-(dimethylamino)anilino]pyrazine-2-carbothioamide
CID 55102849
5-[2-(dimethylamino)ethylamino]pyridine-2-carbothioamide
CID 115488045
3-[2-(3-methylphenoxy)ethylamino]pyrazine-2-carbothioamide
CID 62683112
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrazine-2-carbothioamide
CID 114536969

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide (CID 62684601) is 3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide is CN(C)CCNc1nccnc1C(N)=S.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide?
The InChIKey is XNMVEFRPAXLNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-14(2)6-5-13-9-7(8(10)15)11-3-4-12-9/h3-4H,5-6H2,1-2H3,(H2,10,15)(H,12,13).
What are the key properties of 3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide?
3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide has a molecular weight of 225.32 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide is sourced from PubChem (CID 62684601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).