6-(3-ethylanilino)pyridine-2-carbothioamide

C14H15N3S — CID 64588428

IUPAC6-(3-ethylanilino)pyridine-2-carbothioamide
SMILESCCc1cccc(Nc2cccc(C(N)=S)n2)c1
InChIInChI=1S/C14H15N3S/c1-2-10-5-3-6-11(9-10)16-13-8-4-7-12(17-13)14(15)18/h3-9H,2H2,1H3,(H2,15,18)(H,16,17)
InChIKeyNRZOHIFPVNSRQN-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.02
Rot. Bonds4

About 6-(3-ethylanilino)pyridine-2-carbothioamide

6-(3-ethylanilino)pyridine-2-carbothioamide (PubChem CID 64588428) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 6-(3-ethylanilino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(3-ethylanilino)pyridine-2-carbothioamide
PubChem CID64588428
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name6-(3-ethylanilino)pyridine-2-carbothioamide
SMILESCCc1cccc(Nc2cccc(C(N)=S)n2)c1
InChIInChI=1S/C14H15N3S/c1-2-10-5-3-6-11(9-10)16-13-8-4-7-12(17-13)14(15)18/h3-9H,2H2,1H3,(H2,15,18)(H,16,17)
InChIKeyNRZOHIFPVNSRQN-UHFFFAOYSA-N
XLogP3.02
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(dimethylamino)anilino]pyridine-2-carbothioamide
CID 115377701
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide
CID 64588022
N-(3-ethylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80927434
2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine
CID 80955477
6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyridine-2-carbothioamide
CID 64587644
6-(4-sulfamoylanilino)pyridine-2-carbothioamide
CID 64588424
6-(ethylamino)-N-(3-ethylphenyl)pyridine-2-carboxamide
CID 62239785
2-(3-ethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 63518872
6-ethylpyridine-2-carbothioamide
CID 119094579
2-N-(3-ethylphenyl)pyridine-2,5-diamine
CID 20714461
5-amino-6-(3-ethylanilino)pyridine-2-carboxamide
CID 114405232

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylanilino)pyridine-2-carbothioamide?
The IUPAC name of 6-(3-ethylanilino)pyridine-2-carbothioamide (CID 64588428) is 6-(3-ethylanilino)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(3-ethylanilino)pyridine-2-carbothioamide?
The canonical SMILES for 6-(3-ethylanilino)pyridine-2-carbothioamide is CCc1cccc(Nc2cccc(C(N)=S)n2)c1.
What is the InChIKey of 6-(3-ethylanilino)pyridine-2-carbothioamide?
The InChIKey is NRZOHIFPVNSRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-2-10-5-3-6-11(9-10)16-13-8-4-7-12(17-13)14(15)18/h3-9H,2H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 6-(3-ethylanilino)pyridine-2-carbothioamide?
6-(3-ethylanilino)pyridine-2-carbothioamide has a molecular weight of 257.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylanilino)pyridine-2-carbothioamide is sourced from PubChem (CID 64588428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).