ethyl 2-hydroxy-2-thiophen-2-ylethanimidate

C8H11NO2S — CID 12962603

IUPACethyl 2-hydroxy-2-thiophen-2-ylethanimidate
SMILES[H]/N=C(\OCC)C(O)c1cccs1
InChIInChI=1S/C8H11NO2S/c1-2-11-8(9)7(10)6-4-3-5-12-6/h3-5,7,9-10H,2H2,1H3/b9-8-
InChIKeyXVDWRCWGLDPYMP-HJWRWDBZSA-N
MW185.25 g/mol
LogP1.80
Rot. Bonds3

About ethyl 2-hydroxy-2-thiophen-2-ylethanimidate

ethyl 2-hydroxy-2-thiophen-2-ylethanimidate (PubChem CID 12962603) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-thiophen-2-ylethanimidate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-thiophen-2-ylethanimidate
PubChem CID12962603
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Nameethyl 2-hydroxy-2-thiophen-2-ylethanimidate
SMILES[H]/N=C(\OCC)C(O)c1cccs1
InChIInChI=1S/C8H11NO2S/c1-2-11-8(9)7(10)6-4-3-5-12-6/h3-5,7,9-10H,2H2,1H3/b9-8-
InChIKeyXVDWRCWGLDPYMP-HJWRWDBZSA-N
XLogP1.80
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl 2-hydroxy-2-thiophen-2-ylethanimidate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride
CID 21271228
ethyl 2-(1-benzothiophen-3-yl)-2-hydroxyethanimidate
CID 12962627
ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate
CID 13091997
ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyethanimidate
CID 12962617
1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol
CID 65190352
2-ethoxy-1-thiophen-2-ylpropan-1-ol
CID 64541559
ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate
CID 97355402
1-hydroxy-1-thiophen-2-ylpropan-2-one
CID 15048018
ethyl (2S)-2-(2-ethoxy-5-fluorophenyl)-2-hydroxyethanimidate
CID 92975441
2-ethoxy-3,3-dimethyl-1-thiophen-2-ylbutan-1-ol
CID 116713377
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
ethyl (3S)-3-amino-2,2-difluoro-3-thiophen-2-ylpropanoate
CID 171243650

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-thiophen-2-ylethanimidate?
The IUPAC name of ethyl 2-hydroxy-2-thiophen-2-ylethanimidate (CID 12962603) is ethyl 2-hydroxy-2-thiophen-2-ylethanimidate.
What is the SMILES notation for ethyl 2-hydroxy-2-thiophen-2-ylethanimidate?
The canonical SMILES for ethyl 2-hydroxy-2-thiophen-2-ylethanimidate is [H]/N=C(\OCC)C(O)c1cccs1.
What is the InChIKey of ethyl 2-hydroxy-2-thiophen-2-ylethanimidate?
The InChIKey is XVDWRCWGLDPYMP-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-2-11-8(9)7(10)6-4-3-5-12-6/h3-5,7,9-10H,2H2,1H3/b9-8-.
What are the key properties of ethyl 2-hydroxy-2-thiophen-2-ylethanimidate?
ethyl 2-hydroxy-2-thiophen-2-ylethanimidate has a molecular weight of 185.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-thiophen-2-ylethanimidate is sourced from PubChem (CID 12962603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).