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

C15H16N4S — CID 63778256

IUPAC6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide
SMILESCN1CCN(c2ccc(C(N)=S)cn2)c2ccccc21
InChIInChI=1S/C15H16N4S/c1-18-8-9-19(13-5-3-2-4-12(13)18)14-7-6-11(10-17-14)15(16)20/h2-7,10H,8-9H2,1H3,(H2,16,20)
InChIKeyGXGCZPDHJOFWIO-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.30
Rot. Bonds2

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

6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide (PubChem CID 63778256) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide
PubChem CID63778256
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide
SMILESCN1CCN(c2ccc(C(N)=S)cn2)c2ccccc21
InChIInChI=1S/C15H16N4S/c1-18-8-9-19(13-5-3-2-4-12(13)18)14-7-6-11(10-17-14)15(16)20/h2-7,10H,8-9H2,1H3,(H2,16,20)
InChIKeyGXGCZPDHJOFWIO-UHFFFAOYSA-N
XLogP2.30
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.30
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 6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide?
The IUPAC name of 6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide (CID 63778256) is 6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide?
The canonical SMILES for 6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide is CN1CCN(c2ccc(C(N)=S)cn2)c2ccccc21.
What is the InChIKey of 6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide?
The InChIKey is GXGCZPDHJOFWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-18-8-9-19(13-5-3-2-4-12(13)18)14-7-6-11(10-17-14)15(16)20/h2-7,10H,8-9H2,1H3,(H2,16,20).
What are the key properties of 6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide?
6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide has a molecular weight of 284.39 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide is sourced from PubChem (CID 63778256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).