2-ethylpyridine-4-carbothioamide

C8H10N2S — CID 2761171

IUPAC2-ethylpyridine-4-carbothioamide
SMILESCCc1cc(C(N)=S)ccn1
InChIInChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
InChIKeyAEOCXXJPGCBFJA-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.28
Rot. Bonds2

About 2-ethylpyridine-4-carbothioamide

2-ethylpyridine-4-carbothioamide (PubChem CID 2761171) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-ethylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-ethylpyridine-4-carbothioamide
PubChem CID2761171
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-ethylpyridine-4-carbothioamide
SMILESCCc1cc(C(N)=S)ccn1
InChIInChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
InChIKeyAEOCXXJPGCBFJA-UHFFFAOYSA-N
XLogP1.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Nicotine
CID 89594
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
Pheniramine
CID 4761
Prothionamide
CID 666418
Myosmine
CID 442649
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
5-Ethyl-2-methylpyridine
CID 7728
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Anabaseine
CID 18985
2,4-Dimethylpyridine
CID 7936

Frequently Asked Questions

What is the IUPAC name of 2-ethylpyridine-4-carbothioamide?
The IUPAC name of 2-ethylpyridine-4-carbothioamide (CID 2761171) is 2-ethylpyridine-4-carbothioamide.
What is the SMILES notation for 2-ethylpyridine-4-carbothioamide?
The canonical SMILES for 2-ethylpyridine-4-carbothioamide is CCc1cc(C(N)=S)ccn1.
What is the InChIKey of 2-ethylpyridine-4-carbothioamide?
The InChIKey is AEOCXXJPGCBFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11).
What are the key properties of 2-ethylpyridine-4-carbothioamide?
2-ethylpyridine-4-carbothioamide has a molecular weight of 166.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyridine-4-carbothioamide is sourced from PubChem (CID 2761171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).