(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione

C24H19NO4S — CID 126232799

IUPAC(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C24H19NO4S/c1-2-29-21-13-12-16-8-6-7-11-18(16)19(21)14-22-23(27)25(24(28)30-22)15-20(26)17-9-4-3-5-10-17/h3-14H,2,15H2,1H3/b22-14+
InChIKeyVBWOEFKROIMCLL-HYARGMPZSA-N
MW417.49 g/mol
LogP5.16
Rot. Bonds6

About (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione

(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione (PubChem CID 126232799) has the molecular formula C24H19NO4S and a molecular weight of 417.49 g/mol. Its IUPAC name is (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
PubChem CID126232799
Molecular FormulaC24H19NO4S
Molecular Weight417.49 g/mol
Exact Mass417.10
IUPAC Name(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C24H19NO4S/c1-2-29-21-13-12-16-8-6-7-11-18(16)19(21)14-22-23(27)25(24(28)30-22)15-20(26)17-9-4-3-5-10-17/h3-14H,2,15H2,1H3/b22-14+
InChIKeyVBWOEFKROIMCLL-HYARGMPZSA-N
XLogP5.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_B(16)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(2-propoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126370583
(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126147880
2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)acetamide
CID 126221101
(5E)-5-[[3-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 126225872
methyl 2-[(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 124643051
2-[(5E)-5-[[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 126154008
(5E)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 126282020
5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 2910981
[(2R)-butan-2-yl] 2-[(5E)-2,4-dioxo-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 126209408
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126213479
2-[(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 126204598
(5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 7368541

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione (CID 126232799) is (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione is CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)c2ccccc2)C1=O.
What is the InChIKey of (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The InChIKey is VBWOEFKROIMCLL-HYARGMPZSA-N. The full InChI is InChI=1S/C24H19NO4S/c1-2-29-21-13-12-16-8-6-7-11-18(16)19(21)14-22-23(27)25(24(28)30-22)15-20(26)17-9-4-3-5-10-17/h3-14H,2,15H2,1H3/b22-14+.
What are the key properties of (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione has a molecular weight of 417.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126232799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).