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

C9H11N3O2S — CID 5092659

IUPACN'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide
SMILESCC(=NNC(=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)
InChIKeyXLCIJHLTIQOJJX-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.38
Rot. Bonds2

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

N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide (PubChem CID 5092659) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide
PubChem CID5092659
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC NameN'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide
SMILESCC(=NNC(=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)
InChIKeyXLCIJHLTIQOJJX-UHFFFAOYSA-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'}

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Related Compounds

4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 4232826
2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 5096046
4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 6152424
2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide
CID 9143872
[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
CID 5354251
N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135765562
N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide
CID 9120782
5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3448356
3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 8870172
(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide
CID 9151683
N'-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]oxamide
CID 9120866
ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate
CID 3848888

Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide?
The IUPAC name of N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide (CID 5092659) is N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide.
What is the SMILES notation for N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide?
The canonical SMILES for N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide is CC(=NNC(=O)C(N)=O)c1ccc(C)s1.
What is the InChIKey of N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide?
The InChIKey is XLCIJHLTIQOJJX-UHFFFAOYSA-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).
What are the key properties of N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide?
N'-[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'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide is sourced from PubChem (CID 5092659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).