[(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate

C14H14N2O3S — CID 5348014

IUPAC[(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate
SMILESN/C(Cc1cccs1)=N\OC(=O)COc1ccccc1
InChIInChI=1S/C14H14N2O3S/c15-13(9-12-7-4-8-20-12)16-19-14(17)10-18-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,15,16)
InChIKeyLIFDICVOKONIQB-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.18
Rot. Bonds6

About [(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate

[(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate (PubChem CID 5348014) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is [(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate.

Molecular Properties

Compound Name[(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate
PubChem CID5348014
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name[(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate
SMILESN/C(Cc1cccs1)=N\OC(=O)COc1ccccc1
InChIInChI=1S/C14H14N2O3S/c15-13(9-12-7-4-8-20-12)16-19-14(17)10-18-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,15,16)
InChIKeyLIFDICVOKONIQB-UHFFFAOYSA-N
XLogP2.18
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate
CID 2903284
2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide
CID 51228805
(1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium
CID 5078126
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate
CID 6242299
[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-thiophen-2-ylacetate
CID 6341393
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 43175462
ethyl 2-(thionin-2-yl)acetate
CID 174897632
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate
CID 5348508
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate
CID 3876775
[(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate
CID 5398505
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate
CID 7799166

Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate?
The IUPAC name of [(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate (CID 5348014) is [(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate.
What is the SMILES notation for [(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate?
The canonical SMILES for [(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate is N/C(Cc1cccs1)=N\OC(=O)COc1ccccc1.
What is the InChIKey of [(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate?
The InChIKey is LIFDICVOKONIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c15-13(9-12-7-4-8-20-12)16-19-14(17)10-18-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,15,16).
What are the key properties of [(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate?
[(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate has a molecular weight of 290.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate is sourced from PubChem (CID 5348014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).