5-(quinolin-5-ylamino)pyridine-2-carbothioamide

C15H12N4S — CID 115488091

IUPAC5-(quinolin-5-ylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(Nc2cccc3ncccc23)cn1
InChIInChI=1S/C15H12N4S/c16-15(20)14-7-6-10(9-18-14)19-13-5-1-4-12-11(13)3-2-8-17-12/h1-9,19H,(H2,16,20)
InChIKeyXAGYBSLSSYRTFB-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.01
Rot. Bonds3

About 5-(quinolin-5-ylamino)pyridine-2-carbothioamide

5-(quinolin-5-ylamino)pyridine-2-carbothioamide (PubChem CID 115488091) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 5-(quinolin-5-ylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(quinolin-5-ylamino)pyridine-2-carbothioamide
PubChem CID115488091
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name5-(quinolin-5-ylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(Nc2cccc3ncccc23)cn1
InChIInChI=1S/C15H12N4S/c16-15(20)14-7-6-10(9-18-14)19-13-5-1-4-12-11(13)3-2-8-17-12/h1-9,19H,(H2,16,20)
InChIKeyXAGYBSLSSYRTFB-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

quinolin-5-ylthiourea
CID 1471601
4-(quinolin-5-ylamino)benzoic acid
CID 62230854
1-carbamothioyl-3-quinolin-5-ylthiourea
CID 24835821
N-isoquinolin-6-ylquinolin-5-amine
CID 164533991
5-(2,5-dimethylanilino)pyridine-2-carbothioamide
CID 115488139
6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145481
6-(quinolin-5-ylamino)pyrazine-2-carboxylic acid
CID 66456935
5-amino-2-(quinolin-5-ylamino)benzamide
CID 61306152
6-(quinolin-5-ylamino)pyridine-2-carboxylic acid
CID 62253213
5-(4-fluoro-2-methylanilino)pyridine-2-carbothioamide
CID 115488157
N-pyridin-2-ylquinolin-5-amine
CID 163837098
2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile
CID 102623783

Frequently Asked Questions

What is the IUPAC name of 5-(quinolin-5-ylamino)pyridine-2-carbothioamide?
The IUPAC name of 5-(quinolin-5-ylamino)pyridine-2-carbothioamide (CID 115488091) is 5-(quinolin-5-ylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(quinolin-5-ylamino)pyridine-2-carbothioamide?
The canonical SMILES for 5-(quinolin-5-ylamino)pyridine-2-carbothioamide is NC(=S)c1ccc(Nc2cccc3ncccc23)cn1.
What is the InChIKey of 5-(quinolin-5-ylamino)pyridine-2-carbothioamide?
The InChIKey is XAGYBSLSSYRTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c16-15(20)14-7-6-10(9-18-14)19-13-5-1-4-12-11(13)3-2-8-17-12/h1-9,19H,(H2,16,20).
What are the key properties of 5-(quinolin-5-ylamino)pyridine-2-carbothioamide?
5-(quinolin-5-ylamino)pyridine-2-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 5-(quinolin-5-ylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 115488091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).