3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one

C25H24N2O4S2 — CID 16633822

IUPAC3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/N=C2\SC(CC(=O)c3cccs3)C(=O)N2c2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H24N2O4S2/c1-3-30-19-11-7-17(8-12-19)26-25-27(18-9-13-20(14-10-18)31-4-2)24(29)23(33-25)16-21(28)22-6-5-15-32-22/h5-15,23H,3-4,16H2,1-2H3/b26-25-
InChIKeyRUEFEIAJGURTNR-QPLCGJKRSA-N
MW480.61 g/mol
LogP5.95
Rot. Bonds9

About 3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one

3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 16633822) has the molecular formula C25H24N2O4S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
PubChem CID16633822
Molecular FormulaC25H24N2O4S2
Molecular Weight480.61 g/mol
Exact Mass480.12
IUPAC Name3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/N=C2\SC(CC(=O)c3cccs3)C(=O)N2c2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H24N2O4S2/c1-3-30-19-11-7-17(8-12-19)26-25-27(18-9-13-20(14-10-18)31-4-2)24(29)23(33-25)16-21(28)22-6-5-15-32-22/h5-15,23H,3-4,16H2,1-2H3/b26-25-
InChIKeyRUEFEIAJGURTNR-QPLCGJKRSA-N
XLogP5.95
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 41180381
3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
CID 16633843
2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 40555085
N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 28701760
N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 1384539
5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 16633868
1-(4-ethoxyphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126061913
N-(4-ethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982350
N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 21368527
2-[(5S)-3-cyclopropyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715980
(3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292435
N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41244395

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one (CID 16633822) is 3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one is CCOc1ccc(/N=C2\SC(CC(=O)c3cccs3)C(=O)N2c2ccc(OCC)cc2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is RUEFEIAJGURTNR-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H24N2O4S2/c1-3-30-19-11-7-17(8-12-19)26-25-27(18-9-13-20(14-10-18)31-4-2)24(29)23(33-25)16-21(28)22-6-5-15-32-22/h5-15,23H,3-4,16H2,1-2H3/b26-25-.
What are the key properties of 3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 480.61 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).