6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide

C16H14N4S — CID 62783453

IUPAC6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C16H14N4S/c1-10-6-7-13(15(17)21)16(19-10)20-12-8-11-4-2-3-5-14(11)18-9-12/h2-9H,1H3,(H2,17,21)(H,19,20)
InChIKeyGAWAHSAQNQIZMN-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.32
Rot. Bonds3

About 6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide

6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide (PubChem CID 62783453) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide
PubChem CID62783453
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C16H14N4S/c1-10-6-7-13(15(17)21)16(19-10)20-12-8-11-4-2-3-5-14(11)18-9-12/h2-9H,1H3,(H2,17,21)(H,19,20)
InChIKeyGAWAHSAQNQIZMN-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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide?
The IUPAC name of 6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide (CID 62783453) is 6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide.
What is the SMILES notation for 6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide?
The canonical SMILES for 6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide is Cc1ccc(C(N)=S)c(Nc2cnc3ccccc3c2)n1.
What is the InChIKey of 6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide?
The InChIKey is GAWAHSAQNQIZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-10-6-7-13(15(17)21)16(19-10)20-12-8-11-4-2-3-5-14(11)18-9-12/h2-9H,1H3,(H2,17,21)(H,19,20).
What are the key properties of 6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide?
6-methyl-2-(quinolin-3-ylamino)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-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide is sourced from PubChem (CID 62783453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).