6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide

C16H14N4S — CID 62953779

IUPAC6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide
SMILESCc1ccc2cccc(Nc3ccc(C(N)=S)cn3)c2n1
InChIInChI=1S/C16H14N4S/c1-10-5-6-11-3-2-4-13(15(11)19-10)20-14-8-7-12(9-18-14)16(17)21/h2-9H,1H3,(H2,17,21)(H,18,20)
InChIKeyJCLOLQIONFFJTG-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.32
Rot. Bonds3

About 6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide

6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide (PubChem CID 62953779) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide
PubChem CID62953779
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide
SMILESCc1ccc2cccc(Nc3ccc(C(N)=S)cn3)c2n1
InChIInChI=1S/C16H14N4S/c1-10-5-6-11-3-2-4-13(15(11)19-10)20-14-8-7-12(9-18-14)16(17)21/h2-9H,1H3,(H2,17,21)(H,18,20)
InChIKeyJCLOLQIONFFJTG-UHFFFAOYSA-N
XLogP3.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.32
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-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144951
6-(5-bromo-2-methylanilino)pyridine-3-carbothioamide
CID 43806035
6-amino-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 62953787
(2-methylquinolin-8-yl)hydrazine
CID 957615
ethane;6-methylpyridine-3-carbothioamide
CID 143699561
6-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carbothioamide
CID 107592467
6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide
CID 81426768
3-N-(2-methylquinolin-8-yl)pyridine-2,3-diamine
CID 104540323
2-[(2-methylquinolin-8-yl)amino]benzoic acid
CID 63538689
N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide
CID 24705827
CID 66916636
CID 66916636
2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide
CID 43352182

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide?
The IUPAC name of 6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide (CID 62953779) is 6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide is Cc1ccc2cccc(Nc3ccc(C(N)=S)cn3)c2n1.
What is the InChIKey of 6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide?
The InChIKey is JCLOLQIONFFJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-10-5-6-11-3-2-4-13(15(11)19-10)20-14-8-7-12(9-18-14)16(17)21/h2-9H,1H3,(H2,17,21)(H,18,20).
What are the key properties of 6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide?
6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide has a molecular weight of 294.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylquinolin-8-yl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 62953779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).