3-(quinolin-8-ylamino)pyridine-4-carbothioamide

C15H12N4S — CID 114288039

IUPAC3-(quinolin-8-ylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccncc1Nc1cccc2cccnc12
InChIInChI=1S/C15H12N4S/c16-15(20)11-6-8-17-9-13(11)19-12-5-1-3-10-4-2-7-18-14(10)12/h1-9,19H,(H2,16,20)
InChIKeyIAFOLEXLUZOZDF-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.01
Rot. Bonds3

About 3-(quinolin-8-ylamino)pyridine-4-carbothioamide

3-(quinolin-8-ylamino)pyridine-4-carbothioamide (PubChem CID 114288039) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 3-(quinolin-8-ylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(quinolin-8-ylamino)pyridine-4-carbothioamide
PubChem CID114288039
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name3-(quinolin-8-ylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccncc1Nc1cccc2cccnc12
InChIInChI=1S/C15H12N4S/c16-15(20)11-6-8-17-9-13(11)19-12-5-1-3-10-4-2-7-18-14(10)12/h1-9,19H,(H2,16,20)
InChIKeyIAFOLEXLUZOZDF-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide
CID 62309061
3-anilinopyridine-4-carbothioamide
CID 114287995
3-[2-(trifluoromethyl)anilino]pyridine-4-carbothioamide
CID 114288045
3-(2-propan-2-ylanilino)pyridine-4-carbothioamide
CID 114288058
3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide
CID 107588810
3-amino-2-(quinolin-8-ylamino)benzamide
CID 115933843
3-(2,4-dichloroanilino)pyridine-4-carbothioamide
CID 114288050
3-(2,4-dimethylanilino)pyridine-4-carbothioamide
CID 114288096
3-(3,5-dimethylanilino)pyridine-4-carbothioamide
CID 113269508
N-quinolin-8-ylhydroxylamine
CID 22011433
N-[4-(quinolin-8-ylamino)phenyl]pyridine-3-carboxamide
CID 112989314
3-(tert-butylamino)pyridine-4-carbothioamide
CID 114288000

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-8-ylamino)pyridine-4-carbothioamide?
The IUPAC name of 3-(quinolin-8-ylamino)pyridine-4-carbothioamide (CID 114288039) is 3-(quinolin-8-ylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 3-(quinolin-8-ylamino)pyridine-4-carbothioamide?
The canonical SMILES for 3-(quinolin-8-ylamino)pyridine-4-carbothioamide is NC(=S)c1ccncc1Nc1cccc2cccnc12.
What is the InChIKey of 3-(quinolin-8-ylamino)pyridine-4-carbothioamide?
The InChIKey is IAFOLEXLUZOZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c16-15(20)11-6-8-17-9-13(11)19-12-5-1-3-10-4-2-7-18-14(10)12/h1-9,19H,(H2,16,20).
What are the key properties of 3-(quinolin-8-ylamino)pyridine-4-carbothioamide?
3-(quinolin-8-ylamino)pyridine-4-carbothioamide has a molecular weight of 280.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-8-ylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 114288039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).