ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate

C15H16N2O2S — CID 58003647

IUPACethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate
SMILESCCOC(=O)c1ccc(N/N=C(\C)c2cccs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-3-19-15(18)12-6-8-13(9-7-12)17-16-11(2)14-5-4-10-20-14/h4-10,17H,3H2,1-2H3/b16-11+
InChIKeyVLFUIEDSWXNNLP-LFIBNONCSA-N
MW288.37 g/mol
LogP3.76
Rot. Bonds5

About ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate

ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate (PubChem CID 58003647) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate
PubChem CID58003647
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Nameethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate
SMILESCCOC(=O)c1ccc(N/N=C(\C)c2cccs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-3-19-15(18)12-6-8-13(9-7-12)17-16-11(2)14-5-4-10-20-14/h4-10,17H,3H2,1-2H3/b16-11+
InChIKeyVLFUIEDSWXNNLP-LFIBNONCSA-N
XLogP3.76
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.76
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'}

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Related Compounds

ethyl 4-[(N-methyl-C-thiophen-2-ylcarbonimidoyl)amino]benzoate
CID 8003499
ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate
CID 90711977
2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate
CID 9441875
ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate
CID 113050437
ethyl 4-[[(2E)-4-oxo-2-(1-thiophen-2-ylethylidenehydrazinylidene)-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 135714961
ethyl 4-[(2E)-2-(2-anilino-1-bromo-2-oxoethylidene)hydrazinyl]benzoate
CID 6239554
ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate
CID 2465519
ethyl 4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 2892447
2-ethyl-N-[(E)-1-thiophen-2-ylethylideneamino]aniline
CID 7340543
2-methylprop-2-enyl 4-(thiophene-2-carbonylamino)benzoate
CID 18122532
ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 43029129
ethyl 4-(thiophen-2-yldiazenyl)benzoate
CID 102298943

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate?
The IUPAC name of ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate (CID 58003647) is ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate.
What is the SMILES notation for ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate?
The canonical SMILES for ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate is CCOC(=O)c1ccc(N/N=C(\C)c2cccs2)cc1.
What is the InChIKey of ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate?
The InChIKey is VLFUIEDSWXNNLP-LFIBNONCSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-3-19-15(18)12-6-8-13(9-7-12)17-16-11(2)14-5-4-10-20-14/h4-10,17H,3H2,1-2H3/b16-11+.
What are the key properties of ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate?
ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate has a molecular weight of 288.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate is sourced from PubChem (CID 58003647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).