methyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate

C9H12N2O3S — CID 1494929

IUPACmethyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate
SMILESCC/N=C1\SC(=CC(=O)OC)C(=O)N1C
InChIInChI=1S/C9H12N2O3S/c1-4-10-9-11(2)8(13)6(15-9)5-7(12)14-3/h5H,4H2,1-3H3/b6-5?,10-9-
InChIKeyLSFQBDUSDGDRBL-ZVNONTQMSA-N
MW228.27 g/mol
LogP0.62
Rot. Bonds2

About methyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate

methyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate (PubChem CID 1494929) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is methyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate
PubChem CID1494929
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Namemethyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate
SMILESCC/N=C1\SC(=CC(=O)OC)C(=O)N1C
InChIInChI=1S/C9H12N2O3S/c1-4-10-9-11(2)8(13)6(15-9)5-7(12)14-3/h5H,4H2,1-3H3/b6-5?,10-9-
InChIKeyLSFQBDUSDGDRBL-ZVNONTQMSA-N
XLogP0.62
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate?
The IUPAC name of methyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate (CID 1494929) is methyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate.
What is the SMILES notation for methyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate?
The canonical SMILES for methyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate is CC/N=C1\SC(=CC(=O)OC)C(=O)N1C.
What is the InChIKey of methyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate?
The InChIKey is LSFQBDUSDGDRBL-ZVNONTQMSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-4-10-9-11(2)8(13)6(15-9)5-7(12)14-3/h5H,4H2,1-3H3/b6-5?,10-9-.
What are the key properties of methyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate?
methyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate has a molecular weight of 228.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethylimino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)acetate is sourced from PubChem (CID 1494929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).