2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide

C16H18N4S — CID 114767690

IUPAC2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(N2CCN(C)c3ccccc32)n1
InChIInChI=1S/C16H18N4S/c1-11-9-12(16(17)21)10-15(18-11)20-8-7-19(2)13-5-3-4-6-14(13)20/h3-6,9-10H,7-8H2,1-2H3,(H2,17,21)
InChIKeyYXYDKJGDARUNLA-UHFFFAOYSA-N
MW298.42 g/mol
LogP2.61
Rot. Bonds2

About 2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide

2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide (PubChem CID 114767690) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide
PubChem CID114767690
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(N2CCN(C)c3ccccc32)n1
InChIInChI=1S/C16H18N4S/c1-11-9-12(16(17)21)10-15(18-11)20-8-7-19(2)13-5-3-4-6-14(13)20/h3-6,9-10H,7-8H2,1-2H3,(H2,17,21)
InChIKeyYXYDKJGDARUNLA-UHFFFAOYSA-N
XLogP2.61
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
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 2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide (CID 114767690) is 2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(N2CCN(C)c3ccccc32)n1.
What is the InChIKey of 2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide?
The InChIKey is YXYDKJGDARUNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-11-9-12(16(17)21)10-15(18-11)20-8-7-19(2)13-5-3-4-6-14(13)20/h3-6,9-10H,7-8H2,1-2H3,(H2,17,21).
What are the key properties of 2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide?
2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide has a molecular weight of 298.42 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide is sourced from PubChem (CID 114767690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).