2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide

C15H16FN3S — CID 114767566

IUPAC2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide
SMILESCCN(c1ccc(F)cc1)c1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C15H16FN3S/c1-3-19(13-6-4-12(16)5-7-13)14-9-11(15(17)20)8-10(2)18-14/h4-9H,3H2,1-2H3,(H2,17,20)
InChIKeyGZQUWGGYWJYGTG-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.32
Rot. Bonds4

About 2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide

2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide (PubChem CID 114767566) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide
PubChem CID114767566
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide
SMILESCCN(c1ccc(F)cc1)c1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C15H16FN3S/c1-3-19(13-6-4-12(16)5-7-13)14-9-11(15(17)20)8-10(2)18-14/h4-9H,3H2,1-2H3,(H2,17,20)
InChIKeyGZQUWGGYWJYGTG-UHFFFAOYSA-N
XLogP3.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013536
2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide
CID 114767300
2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide
CID 114767217
2-(N-ethyl-4-fluoroanilino)-4-methylbenzenecarbothioamide
CID 62303295
4-N-ethyl-4-N-(4-fluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954692
2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767331
ethyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)-ethylamino]acetate
CID 114767466
2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide
CID 107398831
2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide
CID 114768994
4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958034
4-(4-fluoro-N-methylanilino)-2,6-dimethylpyridine-3-carbothioamide
CID 81054556
2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid
CID 107553719

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide (CID 114767566) is 2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide is CCN(c1ccc(F)cc1)c1cc(C(N)=S)cc(C)n1.
What is the InChIKey of 2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide?
The InChIKey is GZQUWGGYWJYGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3S/c1-3-19(13-6-4-12(16)5-7-13)14-9-11(15(17)20)8-10(2)18-14/h4-9H,3H2,1-2H3,(H2,17,20).
What are the key properties of 2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide?
2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide has a molecular weight of 289.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).