2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide

C10H11N5S — CID 107548310

IUPAC2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide
SMILESCCc1nccn1-c1nccc(C(N)=S)n1
InChIInChI=1S/C10H11N5S/c1-2-8-12-5-6-15(8)10-13-4-3-7(14-10)9(11)16/h3-6H,2H2,1H3,(H2,11,16)
InChIKeyZSPWFUAFQPAILE-UHFFFAOYSA-N
MW233.30 g/mol
LogP0.86
Rot. Bonds3

About 2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide

2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide (PubChem CID 107548310) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide
PubChem CID107548310
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide
SMILESCCc1nccn1-c1nccc(C(N)=S)n1
InChIInChI=1S/C10H11N5S/c1-2-8-12-5-6-15(8)10-13-4-3-7(14-10)9(11)16/h3-6H,2H2,1H3,(H2,11,16)
InChIKeyZSPWFUAFQPAILE-UHFFFAOYSA-N
XLogP0.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 50.86
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

[2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189867
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547407
2-(2-propylimidazol-1-yl)pyrimidin-4-amine
CID 116798084
2-(2-ethylpyrrolidin-1-yl)pyrimidine-4-carbothioamide
CID 107546728
2-(azepan-1-yl)pyrimidine-4-carbothioamide
CID 107546180
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carbothioamide
CID 107548161
2-(2-ethylthiomorpholin-4-yl)pyrimidine-4-carbothioamide
CID 107548124
2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carbothioamide
CID 107547435
2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-4-carbothioamide
CID 107546542
2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 83181858
[4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80902349
2-(2-ethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbothioamide
CID 107547470

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide (CID 107548310) is 2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide is CCc1nccn1-c1nccc(C(N)=S)n1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide?
The InChIKey is ZSPWFUAFQPAILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-2-8-12-5-6-15(8)10-13-4-3-7(14-10)9(11)16/h3-6H,2H2,1H3,(H2,11,16).
What are the key properties of 2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide?
2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide has a molecular weight of 233.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)pyrimidine-4-carbothioamide is sourced from PubChem (CID 107548310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).