N-quinoxalin-6-ylmorpholine-4-carbothioamide

C13H14N4OS — CID 798107

IUPACN-quinoxalin-6-ylmorpholine-4-carbothioamide
SMILESS=C(Nc1ccc2nccnc2c1)N1CCOCC1
InChIInChI=1S/C13H14N4OS/c19-13(17-5-7-18-8-6-17)16-10-1-2-11-12(9-10)15-4-3-14-11/h1-4,9H,5-8H2,(H,16,19)
InChIKeyXKPWFZHEJDFIOG-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.66
Rot. Bonds1

About N-quinoxalin-6-ylmorpholine-4-carbothioamide

N-quinoxalin-6-ylmorpholine-4-carbothioamide (PubChem CID 798107) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-quinoxalin-6-ylmorpholine-4-carbothioamide.

Molecular Properties

Compound NameN-quinoxalin-6-ylmorpholine-4-carbothioamide
PubChem CID798107
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-quinoxalin-6-ylmorpholine-4-carbothioamide
SMILESS=C(Nc1ccc2nccnc2c1)N1CCOCC1
InChIInChI=1S/C13H14N4OS/c19-13(17-5-7-18-8-6-17)16-10-1-2-11-12(9-10)15-4-3-14-11/h1-4,9H,5-8H2,(H,16,19)
InChIKeyXKPWFZHEJDFIOG-UHFFFAOYSA-N
XLogP1.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.66
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 N-quinoxalin-6-ylmorpholine-4-carbothioamide?
The IUPAC name of N-quinoxalin-6-ylmorpholine-4-carbothioamide (CID 798107) is N-quinoxalin-6-ylmorpholine-4-carbothioamide.
What is the SMILES notation for N-quinoxalin-6-ylmorpholine-4-carbothioamide?
The canonical SMILES for N-quinoxalin-6-ylmorpholine-4-carbothioamide is S=C(Nc1ccc2nccnc2c1)N1CCOCC1.
What is the InChIKey of N-quinoxalin-6-ylmorpholine-4-carbothioamide?
The InChIKey is XKPWFZHEJDFIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c19-13(17-5-7-18-8-6-17)16-10-1-2-11-12(9-10)15-4-3-14-11/h1-4,9H,5-8H2,(H,16,19).
What are the key properties of N-quinoxalin-6-ylmorpholine-4-carbothioamide?
N-quinoxalin-6-ylmorpholine-4-carbothioamide has a molecular weight of 274.35 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinoxalin-6-ylmorpholine-4-carbothioamide is sourced from PubChem (CID 798107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).