(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C15H17NO2S — CID 126076971

IUPAC(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)S/C(=C/c2c(C)cc(C)cc2C)C1=O
InChIInChI=1S/C15H17NO2S/c1-5-16-14(17)13(19-15(16)18)8-12-10(3)6-9(2)7-11(12)4/h6-8H,5H2,1-4H3/b13-8+
InChIKeyCMVGVQMRPSTKGC-MDWZMJQESA-N
MW275.37 g/mol
LogP3.67
Rot. Bonds2

About (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 126076971) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID126076971
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)S/C(=C/c2c(C)cc(C)cc2C)C1=O
InChIInChI=1S/C15H17NO2S/c1-5-16-14(17)13(19-15(16)18)8-12-10(3)6-9(2)7-11(12)4/h6-8H,5H2,1-4H3/b13-8+
InChIKeyCMVGVQMRPSTKGC-MDWZMJQESA-N
XLogP3.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-2-[(5E)-2,4-dioxo-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-3-yl]propanoate
CID 126016075
3-ethyl-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1309329
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 21374341
(5E)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126015407
(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 126256878
5-benzylidene-3-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 1206204
(5E)-3-ethyl-5-[(1-methylpyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50853636
3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 4760530
3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1308336
(5E)-3-ethyl-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126072656
(5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2202274
(5E)-3-ethyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2187903

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 126076971) is (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is CCN1C(=O)S/C(=C/c2c(C)cc(C)cc2C)C1=O.
What is the InChIKey of (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is CMVGVQMRPSTKGC-MDWZMJQESA-N. The full InChI is InChI=1S/C15H17NO2S/c1-5-16-14(17)13(19-15(16)18)8-12-10(3)6-9(2)7-11(12)4/h6-8H,5H2,1-4H3/b13-8+.
What are the key properties of (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 275.37 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126076971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).