ethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate

C10H15NO3S — CID 12962636

IUPACethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate
SMILES[H]/N=C(\OCC)C(O)c1cscc1OCC
InChIInChI=1S/C10H15NO3S/c1-3-13-8-6-15-5-7(8)9(12)10(11)14-4-2/h5-6,9,11-12H,3-4H2,1-2H3/b11-10-
InChIKeyKLHPBPFXDUIIDL-KHPPLWFESA-N
MW229.30 g/mol
LogP2.19
Rot. Bonds5

About ethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate

ethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate (PubChem CID 12962636) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is ethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate.

Molecular Properties

Compound Nameethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate
PubChem CID12962636
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Nameethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate
SMILES[H]/N=C(\OCC)C(O)c1cscc1OCC
InChIInChI=1S/C10H15NO3S/c1-3-13-8-6-15-5-7(8)9(12)10(11)14-4-2/h5-6,9,11-12H,3-4H2,1-2H3/b11-10-
InChIKeyKLHPBPFXDUIIDL-KHPPLWFESA-N
XLogP2.19
TPSA62.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyethanimidate
CID 12962617
ethyl (2S)-2-(2-ethoxy-5-fluorophenyl)-2-hydroxyethanimidate
CID 92975441
ethyl 2-(1-benzothiophen-3-yl)-2-hydroxyethanimidate
CID 12962627
ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate
CID 99645007
ethyl 2-hydroxy-2-thiophen-2-ylethanimidate
CID 12962603
ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride
CID 21271228
ethyl 2-(5-chlorothiophen-2-yl)-2-hydroxyethanimidate
CID 12962614
ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate
CID 13091997
ethyl 2-(3-fluoro-2-methoxy-5-methylphenyl)-2-hydroxyethanimidate
CID 13216661
ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate
CID 90477082
(2-chloro-4,5-diethoxyphenyl)-(4-methylthiophen-3-yl)methanamine
CID 79810158
ethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione
CID 161251287

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate?
The IUPAC name of ethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate (CID 12962636) is ethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate.
What is the SMILES notation for ethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate?
The canonical SMILES for ethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate is [H]/N=C(\OCC)C(O)c1cscc1OCC.
What is the InChIKey of ethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate?
The InChIKey is KLHPBPFXDUIIDL-KHPPLWFESA-N. The full InChI is InChI=1S/C10H15NO3S/c1-3-13-8-6-15-5-7(8)9(12)10(11)14-4-2/h5-6,9,11-12H,3-4H2,1-2H3/b11-10-.
What are the key properties of ethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate?
ethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate has a molecular weight of 229.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethoxythiophen-3-yl)-2-hydroxyethanimidate is sourced from PubChem (CID 12962636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).