N-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide

C15H17N5OS — CID 43835790

IUPACN-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide
SMILESC/C(=N\NC(=S)N1CCOCC1)c1cnc2ccccc2n1
InChIInChI=1S/C15H17N5OS/c1-11(18-19-15(22)20-6-8-21-9-7-20)14-10-16-12-4-2-3-5-13(12)17-14/h2-5,10H,6-9H2,1H3,(H,19,22)/b18-11+
InChIKeyUMCVBRAYQJBHMC-WOJGMQOQSA-N
MW315.40 g/mol
LogP1.56
Rot. Bonds2

About N-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide

N-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide (PubChem CID 43835790) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide
PubChem CID43835790
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC NameN-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide
SMILESC/C(=N\NC(=S)N1CCOCC1)c1cnc2ccccc2n1
InChIInChI=1S/C15H17N5OS/c1-11(18-19-15(22)20-6-8-21-9-7-20)14-10-16-12-4-2-3-5-13(12)17-14/h2-5,10H,6-9H2,1H3,(H,19,22)/b18-11+
InChIKeyUMCVBRAYQJBHMC-WOJGMQOQSA-N
XLogP1.56
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide?
The IUPAC name of N-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide (CID 43835790) is N-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide.
What is the SMILES notation for N-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide?
The canonical SMILES for N-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide is C/C(=N\NC(=S)N1CCOCC1)c1cnc2ccccc2n1.
What is the InChIKey of N-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide?
The InChIKey is UMCVBRAYQJBHMC-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-11(18-19-15(22)20-6-8-21-9-7-20)14-10-16-12-4-2-3-5-13(12)17-14/h2-5,10H,6-9H2,1H3,(H,19,22)/b18-11+.
What are the key properties of N-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide?
N-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide has a molecular weight of 315.40 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-quinoxalin-2-ylethylideneamino]morpholine-4-carbothioamide is sourced from PubChem (CID 43835790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).