N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide

C13H14N4O2S — CID 9402959

IUPACN-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C13H14N4O2S/c1-3-9-6-4-5-7-10(9)14-11(18)12(19)15-13-17-16-8(2)20-13/h4-7H,3H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyQPSZCVJQDKONEQ-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.99
Rot. Bonds3

About N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide

N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide (PubChem CID 9402959) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide
PubChem CID9402959
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C13H14N4O2S/c1-3-9-6-4-5-7-10(9)14-11(18)12(19)15-13-17-16-8(2)20-13/h4-7H,3H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyQPSZCVJQDKONEQ-UHFFFAOYSA-N
XLogP1.99
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615969
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide
CID 9403203
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 9402765
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291
3-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47366067
N-(2-ethylphenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384875
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2-ethylphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522737
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
CID 108530383

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide?
The IUPAC name of N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide (CID 9402959) is N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide is CCc1ccccc1NC(=O)C(=O)Nc1nnc(C)s1.
What is the InChIKey of N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide?
The InChIKey is QPSZCVJQDKONEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-3-9-6-4-5-7-10(9)14-11(18)12(19)15-13-17-16-8(2)20-13/h4-7H,3H2,1-2H3,(H,14,18)(H,15,17,19).
What are the key properties of N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide?
N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide has a molecular weight of 290.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide is sourced from PubChem (CID 9402959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).