ethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione

C15H16N2O5S2 — CID 161251287

IUPACethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccsc2)O1.[H]/N=C(\OCC)C(O)c1ccsc1
InChIInChI=1S/C8H11NO2S.C7H5NO3S/c1-2-11-8(9)7(10)6-3-4-12-5-6;9-6-5(11-7(10)8-6)4-1-2-12-3-4/h3-5,7,9-10H,2H2,1H3;1-3,5H,(H,8,9,10)/b9-8-;
InChIKeyVBHPLSZJVYFRJR-UOQXYWCXSA-N
MW368.44 g/mol
LogP2.85
Rot. Bonds4

About ethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione

ethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione (PubChem CID 161251287) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione
PubChem CID161251287
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Nameethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccsc2)O1.[H]/N=C(\OCC)C(O)c1ccsc1
InChIInChI=1S/C8H11NO2S.C7H5NO3S/c1-2-11-8(9)7(10)6-3-4-12-5-6;9-6-5(11-7(10)8-6)4-1-2-12-3-4/h3-5,7,9-10H,2H2,1H3;1-3,5H,(H,8,9,10)/b9-8-;
InChIKeyVBHPLSZJVYFRJR-UOQXYWCXSA-N
XLogP2.85
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione?
The IUPAC name of ethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione (CID 161251287) is ethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for ethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for ethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione is O=C1NC(=O)C(c2ccsc2)O1.[H]/N=C(\OCC)C(O)c1ccsc1.
What is the InChIKey of ethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione?
The InChIKey is VBHPLSZJVYFRJR-UOQXYWCXSA-N. The full InChI is InChI=1S/C8H11NO2S.C7H5NO3S/c1-2-11-8(9)7(10)6-3-4-12-5-6;9-6-5(11-7(10)8-6)4-1-2-12-3-4/h3-5,7,9-10H,2H2,1H3;1-3,5H,(H,8,9,10)/b9-8-;.
What are the key properties of ethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione?
ethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione has a molecular weight of 368.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-thiophen-3-ylethanimidate;5-thiophen-3-yl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 161251287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).