2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide

C16H19N3S — CID 114767300

IUPAC2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide
SMILESCCN(c1cccc(C)c1)c1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C16H19N3S/c1-4-19(14-7-5-6-11(2)8-14)15-10-13(16(17)20)9-12(3)18-15/h5-10H,4H2,1-3H3,(H2,17,20)
InChIKeyWGUIFMONHNXQAR-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.49
Rot. Bonds4

About 2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide

2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide (PubChem CID 114767300) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide
PubChem CID114767300
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide
SMILESCCN(c1cccc(C)c1)c1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C16H19N3S/c1-4-19(14-7-5-6-11(2)8-14)15-10-13(16(17)20)9-12(3)18-15/h5-10H,4H2,1-3H3,(H2,17,20)
InChIKeyWGUIFMONHNXQAR-UHFFFAOYSA-N
XLogP3.49
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide
CID 114767566
2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80961089
4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926991
ethyl 4-[[4-(N-ethyl-3-methylanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112932104
2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767331
3-(aminomethyl)-N-ethyl-2,6-dimethyl-N-(3-methylphenyl)pyridin-4-amine
CID 81050456
4-(aminomethyl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541694
2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide
CID 107398831
ethyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)-ethylamino]acetate
CID 114767466
N-ethyl-6-hydrazinyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80899281
N,2-diethyl-6-hydrazinyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80937279
2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013536

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide (CID 114767300) is 2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide is CCN(c1cccc(C)c1)c1cc(C(N)=S)cc(C)n1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide?
The InChIKey is WGUIFMONHNXQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-4-19(14-7-5-6-11(2)8-14)15-10-13(16(17)20)9-12(3)18-15/h5-10H,4H2,1-3H3,(H2,17,20).
What are the key properties of 2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide?
2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide has a molecular weight of 285.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).