3-(2,4-dichloroanilino)pyridine-4-carbothioamide

C12H9Cl2N3S — CID 114288050

IUPAC3-(2,4-dichloroanilino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccncc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2N3S/c13-7-1-2-10(9(14)5-7)17-11-6-16-4-3-8(11)12(15)18/h1-6,17H,(H2,15,18)
InChIKeyRAVNXOJJXVESGO-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.77
Rot. Bonds3

About 3-(2,4-dichloroanilino)pyridine-4-carbothioamide

3-(2,4-dichloroanilino)pyridine-4-carbothioamide (PubChem CID 114288050) has the molecular formula C12H9Cl2N3S and a molecular weight of 298.20 g/mol. Its IUPAC name is 3-(2,4-dichloroanilino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(2,4-dichloroanilino)pyridine-4-carbothioamide
PubChem CID114288050
Molecular FormulaC12H9Cl2N3S
Molecular Weight298.20 g/mol
Exact Mass296.99
IUPAC Name3-(2,4-dichloroanilino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccncc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2N3S/c13-7-1-2-10(9(14)5-7)17-11-6-16-4-3-8(11)12(15)18/h1-6,17H,(H2,15,18)
InChIKeyRAVNXOJJXVESGO-UHFFFAOYSA-N
XLogP3.77
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.77
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

3-[2-(2,4-dichlorophenyl)ethylamino]pyridine-4-carbothioamide
CID 114288128
3-(2-chloro-4,6-difluoroanilino)pyridine-4-carbothioamide
CID 83087296
3-(2,4-dimethylanilino)pyridine-4-carbothioamide
CID 114288096
3-anilinopyridine-4-carbothioamide
CID 114287995
3-(3,5-dimethylanilino)pyridine-4-carbothioamide
CID 113269508
3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide
CID 107588810
3-chloropyridine-4-carbothioamide
CID 82668449
5-chloro-2-(2-chloroanilino)benzenecarbothioamide
CID 55223289
3-(4-fluoro-2-methoxyanilino)pyridine-4-carbothioamide
CID 114288348
4-(2,4-dichloroanilino)-3-fluorobenzenecarbothioamide
CID 43657727
3-(quinolin-8-ylamino)pyridine-4-carbothioamide
CID 114288039
5-chloro-2-(pyrimidin-5-ylamino)benzenecarbothioamide
CID 107588817

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloroanilino)pyridine-4-carbothioamide?
The IUPAC name of 3-(2,4-dichloroanilino)pyridine-4-carbothioamide (CID 114288050) is 3-(2,4-dichloroanilino)pyridine-4-carbothioamide.
What is the SMILES notation for 3-(2,4-dichloroanilino)pyridine-4-carbothioamide?
The canonical SMILES for 3-(2,4-dichloroanilino)pyridine-4-carbothioamide is NC(=S)c1ccncc1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichloroanilino)pyridine-4-carbothioamide?
The InChIKey is RAVNXOJJXVESGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3S/c13-7-1-2-10(9(14)5-7)17-11-6-16-4-3-8(11)12(15)18/h1-6,17H,(H2,15,18).
What are the key properties of 3-(2,4-dichloroanilino)pyridine-4-carbothioamide?
3-(2,4-dichloroanilino)pyridine-4-carbothioamide has a molecular weight of 298.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloroanilino)pyridine-4-carbothioamide is sourced from PubChem (CID 114288050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).