N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide

C10H13N3O2S — CID 126008179

IUPACN-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
SMILESCCNC(=O)C(=O)N/N=C\c1ccc(C)s1
InChIInChI=1S/C10H13N3O2S/c1-3-11-9(14)10(15)13-12-6-8-5-4-7(2)16-8/h4-6H,3H2,1-2H3,(H,11,14)(H,13,15)/b12-6-
InChIKeyJDWHFYGUVMWAEU-SDQBBNPISA-N
MW239.30 g/mol
LogP0.64
Rot. Bonds3

About N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide

N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide (PubChem CID 126008179) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
PubChem CID126008179
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC NameN-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
SMILESCCNC(=O)C(=O)N/N=C\c1ccc(C)s1
InChIInChI=1S/C10H13N3O2S/c1-3-11-9(14)10(15)13-12-6-8-5-4-7(2)16-8/h4-6H,3H2,1-2H3,(H,11,14)(H,13,15)/b12-6-
InChIKeyJDWHFYGUVMWAEU-SDQBBNPISA-N
XLogP0.64
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.64
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'}

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Related Compounds

N-butyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
CID 126010643
N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide
CID 9351587
N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
CID 9156025
4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 832654
[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea
CID 5396200
[(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea
CID 5363938
1-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]thiourea
CID 5217488
N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide
CID 39388462
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279
2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5417784

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide?
The IUPAC name of N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide (CID 126008179) is N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide.
What is the SMILES notation for N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide?
The canonical SMILES for N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide is CCNC(=O)C(=O)N/N=C\c1ccc(C)s1.
What is the InChIKey of N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide?
The InChIKey is JDWHFYGUVMWAEU-SDQBBNPISA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-3-11-9(14)10(15)13-12-6-8-5-4-7(2)16-8/h4-6H,3H2,1-2H3,(H,11,14)(H,13,15)/b12-6-.
What are the key properties of N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide?
N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide has a molecular weight of 239.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide is sourced from PubChem (CID 126008179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).