N'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide

C9H11N3O2S — CID 6268223

IUPACN'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(N)=O)c1ccc(C)s1
InChIInChI=1S/C9H11N3O2S/c1-5-3-4-7(15-5)6(2)11-12-9(14)8(10)13/h3-4H,1-2H3,(H2,10,13)(H,12,14)/b11-6+
InChIKeyXLCIJHLTIQOJJX-IZZDOVSWSA-N
MW225.27 g/mol
LogP0.38
Rot. Bonds2

About N'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide

N'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide (PubChem CID 6268223) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is N'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide
PubChem CID6268223
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC NameN'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(N)=O)c1ccc(C)s1
InChIInChI=1S/C9H11N3O2S/c1-5-3-4-7(15-5)6(2)11-12-9(14)8(10)13/h3-4H,1-2H3,(H2,10,13)(H,12,14)/b11-6+
InChIKeyXLCIJHLTIQOJJX-IZZDOVSWSA-N
XLogP0.38
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide?
The IUPAC name of N'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide (CID 6268223) is N'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide?
The canonical SMILES for N'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide is C/C(=N\NC(=O)C(N)=O)c1ccc(C)s1.
What is the InChIKey of N'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide?
The InChIKey is XLCIJHLTIQOJJX-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-5-3-4-7(15-5)6(2)11-12-9(14)8(10)13/h3-4H,1-2H3,(H2,10,13)(H,12,14)/b11-6+.
What are the key properties of N'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide?
N'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide has a molecular weight of 225.27 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]oxamide is sourced from PubChem (CID 6268223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).