3-anilinopyridine-4-carbothioamide

C12H11N3S — CID 114287995

IUPAC3-anilinopyridine-4-carbothioamide
SMILESNC(=S)c1ccncc1Nc1ccccc1
InChIInChI=1S/C12H11N3S/c13-12(16)10-6-7-14-8-11(10)15-9-4-2-1-3-5-9/h1-8,15H,(H2,13,16)
InChIKeyBCZALZPKJCQXSR-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.46
Rot. Bonds3

About 3-anilinopyridine-4-carbothioamide

3-anilinopyridine-4-carbothioamide (PubChem CID 114287995) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 3-anilinopyridine-4-carbothioamide.

Molecular Properties

Compound Name3-anilinopyridine-4-carbothioamide
PubChem CID114287995
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name3-anilinopyridine-4-carbothioamide
SMILESNC(=S)c1ccncc1Nc1ccccc1
InChIInChI=1S/C12H11N3S/c13-12(16)10-6-7-14-8-11(10)15-9-4-2-1-3-5-9/h1-8,15H,(H2,13,16)
InChIKeyBCZALZPKJCQXSR-UHFFFAOYSA-N
XLogP2.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.46
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-(pyrimidin-5-ylamino)pyridine-4-carbothioamide
CID 107588810
3-(3,5-dimethylanilino)pyridine-4-carbothioamide
CID 113269508
3-[2-(trifluoromethyl)anilino]pyridine-4-carbothioamide
CID 114288045
3-(2-propan-2-ylanilino)pyridine-4-carbothioamide
CID 114288058
3-(quinolin-8-ylamino)pyridine-4-carbothioamide
CID 114288039
3-[4-(difluoromethoxy)anilino]pyridine-4-carbothioamide
CID 114288155
methyl 3-anilinopyridine-4-carboxylate
CID 14221935
3-(2,4-dichloroanilino)pyridine-4-carbothioamide
CID 114288050
3-(2,4-dimethylanilino)pyridine-4-carbothioamide
CID 114288096
1-(3-anilino-4-pyridinyl)propan-1-one
CID 90831497
3-(tert-butylamino)pyridine-4-carbothioamide
CID 114288000
3-[(2-phenylcyclopropyl)amino]pyridine-4-carbothioamide
CID 114288410

Frequently Asked Questions

What is the IUPAC name of 3-anilinopyridine-4-carbothioamide?
The IUPAC name of 3-anilinopyridine-4-carbothioamide (CID 114287995) is 3-anilinopyridine-4-carbothioamide.
What is the SMILES notation for 3-anilinopyridine-4-carbothioamide?
The canonical SMILES for 3-anilinopyridine-4-carbothioamide is NC(=S)c1ccncc1Nc1ccccc1.
What is the InChIKey of 3-anilinopyridine-4-carbothioamide?
The InChIKey is BCZALZPKJCQXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c13-12(16)10-6-7-14-8-11(10)15-9-4-2-1-3-5-9/h1-8,15H,(H2,13,16).
What are the key properties of 3-anilinopyridine-4-carbothioamide?
3-anilinopyridine-4-carbothioamide has a molecular weight of 229.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilinopyridine-4-carbothioamide is sourced from PubChem (CID 114287995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).