(5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C12H11NO3S — CID 1327232

IUPAC(5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccccc1/C=C1/SC(=O)NC1=O
InChIInChI=1S/C12H11NO3S/c1-2-16-9-6-4-3-5-8(9)7-10-11(14)13-12(15)17-10/h3-7H,2H2,1H3,(H,13,14,15)/b10-7+
InChIKeySZHWEOSHMVDMCQ-JXMROGBWSA-N
MW249.29 g/mol
LogP2.41
Rot. Bonds3

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

(5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1327232) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is (5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1327232
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name(5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccccc1/C=C1/SC(=O)NC1=O
InChIInChI=1S/C12H11NO3S/c1-2-16-9-6-4-3-5-8(9)7-10-11(14)13-12(15)17-10/h3-7H,2H2,1H3,(H,13,14,15)/b10-7+
InChIKeySZHWEOSHMVDMCQ-JXMROGBWSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(5Z)-5-[(2-heptoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 44665705
(5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87385706
5-[(2-ethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171127950
(5E)-5-[[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2277736
(5Z)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 16634014
(5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1490858
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 71296821
(5Z)-5-[[2-[(3S)-3-aminopyrrolidin-1-yl]-3-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 44609479
2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 16634203
2-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 53448223
(5E)-5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1232264
(5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 59994086

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1327232) is (5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is CCOc1ccccc1/C=C1/SC(=O)NC1=O.
What is the InChIKey of (5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is SZHWEOSHMVDMCQ-JXMROGBWSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-2-16-9-6-4-3-5-8(9)7-10-11(14)13-12(15)17-10/h3-7H,2H2,1H3,(H,13,14,15)/b10-7+.
What are the key properties of (5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 249.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1327232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).