ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate

C14H12ClNO2S — CID 13255860

IUPACethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate
SMILESCCOC(=O)/C(=N\c1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C14H12ClNO2S/c1-2-18-14(17)13(12-7-4-8-19-12)16-11-6-3-5-10(15)9-11/h3-9H,2H2,1H3/b16-13-
InChIKeyJOZBPWQVXISXKN-SSZFMOIBSA-N
MW293.78 g/mol
LogP4.09
Rot. Bonds4

About ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate

ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate (PubChem CID 13255860) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate.

Molecular Properties

Compound Nameethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate
PubChem CID13255860
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC Nameethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate
SMILESCCOC(=O)/C(=N\c1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C14H12ClNO2S/c1-2-18-14(17)13(12-7-4-8-19-12)16-11-6-3-5-10(15)9-11/h3-9H,2H2,1H3/b16-13-
InChIKeyJOZBPWQVXISXKN-SSZFMOIBSA-N
XLogP4.09
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate?
The IUPAC name of ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate (CID 13255860) is ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate.
What is the SMILES notation for ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate?
The canonical SMILES for ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate is CCOC(=O)/C(=N\c1cccc(Cl)c1)c1cccs1.
What is the InChIKey of ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate?
The InChIKey is JOZBPWQVXISXKN-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c1-2-18-14(17)13(12-7-4-8-19-12)16-11-6-3-5-10(15)9-11/h3-9H,2H2,1H3/b16-13-.
What are the key properties of ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate?
ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate has a molecular weight of 293.78 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate is sourced from PubChem (CID 13255860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).