5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one

C25H23BrN2O2S — CID 4319389

IUPAC5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
SMILESCCc1ccc(NC2NC(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)cc3)S2)cc1
InChIInChI=1S/C25H23BrN2O2S/c1-2-17-5-11-21(12-6-17)27-25-28-24(29)23(31-25)15-18-7-13-22(14-8-18)30-16-19-3-9-20(26)10-4-19/h3-15,25,27H,2,16H2,1H3,(H,28,29)
InChIKeyHPBVBJNAUDTMJC-UHFFFAOYSA-N
MW495.44 g/mol
LogP6.19
Rot. Bonds7

About 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one

5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one (PubChem CID 4319389) has the molecular formula C25H23BrN2O2S and a molecular weight of 495.44 g/mol. Its IUPAC name is 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
PubChem CID4319389
Molecular FormulaC25H23BrN2O2S
Molecular Weight495.44 g/mol
Exact Mass494.07
IUPAC Name5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
SMILESCCc1ccc(NC2NC(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)cc3)S2)cc1
InChIInChI=1S/C25H23BrN2O2S/c1-2-17-5-11-21(12-6-17)27-25-28-24(29)23(31-25)15-18-7-13-22(14-8-18)30-16-19-3-9-20(26)10-4-19/h3-15,25,27H,2,16H2,1H3,(H,28,29)
InChIKeyHPBVBJNAUDTMJC-UHFFFAOYSA-N
XLogP6.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.44
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 6166551
(2S,5Z)-5-[(3-bromo-4-prop-2-enoxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
CID 26987407
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
CID 6115654
(2S,5E)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
CID 26987444
5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
CID 1345105
2-[4-[(E)-[2-(4-hydroxyanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 143465775
5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 2914266
N-[(5Z)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 6089416
(5Z)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135592707
5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 1208927
(5Z)-5-[[4-[(2,4-dibromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 137131340
(5Z)-2-(4-ethylphenyl)imino-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137020557

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one (CID 4319389) is 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one is CCc1ccc(NC2NC(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)cc3)S2)cc1.
What is the InChIKey of 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one?
The InChIKey is HPBVBJNAUDTMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN2O2S/c1-2-17-5-11-21(12-6-17)27-25-28-24(29)23(31-25)15-18-7-13-22(14-8-18)30-16-19-3-9-20(26)10-4-19/h3-15,25,27H,2,16H2,1H3,(H,28,29).
What are the key properties of 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one?
5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one has a molecular weight of 495.44 g/mol, XLogP of 6.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4319389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).