(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C21H19ClN2O2S — CID 9486733

IUPAC(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESC=CCOc1ccccc1/C=C1/S/C(=N\c2ccc(Cl)cc2)N(CC)C1=O
InChIInChI=1S/C21H19ClN2O2S/c1-3-13-26-18-8-6-5-7-15(18)14-19-20(25)24(4-2)21(27-19)23-17-11-9-16(22)10-12-17/h3,5-12,14H,1,4,13H2,2H3/b19-14+,23-21-
InChIKeyQVPVMZZSQAEDCU-ZIGJTDFESA-N
MW398.92 g/mol
LogP5.53
Rot. Bonds6

About (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 9486733) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID9486733
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC Name(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESC=CCOc1ccccc1/C=C1/S/C(=N\c2ccc(Cl)cc2)N(CC)C1=O
InChIInChI=1S/C21H19ClN2O2S/c1-3-13-26-18-8-6-5-7-15(18)14-19-20(25)24(4-2)21(27-19)23-17-11-9-16(22)10-12-17/h3,5-12,14H,1,4,13H2,2H3/b19-14+,23-21-
InChIKeyQVPVMZZSQAEDCU-ZIGJTDFESA-N
XLogP5.53
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.92
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-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

(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486685
4-[[5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 4764970
2-[2-[(Z)-[2-(4-chlorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 126096949
(2E,5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841839
(2E,5Z)-3-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18845317
(5E)-5-[(5-chloro-2-propoxyphenyl)methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 9485955
(5E)-2-(3,4-dimethylphenyl)imino-3-ethyl-5-[(2-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8990595
methyl 3-[[5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 4689659
4-[[5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 4764829
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 126243533
(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 126246325
2-[2-[(Z)-[3-ethyl-2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 43861571

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 9486733) is (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one is C=CCOc1ccccc1/C=C1/S/C(=N\c2ccc(Cl)cc2)N(CC)C1=O.
What is the InChIKey of (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is QVPVMZZSQAEDCU-ZIGJTDFESA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c1-3-13-26-18-8-6-5-7-15(18)14-19-20(25)24(4-2)21(27-19)23-17-11-9-16(22)10-12-17/h3,5-12,14H,1,4,13H2,2H3/b19-14+,23-21-.
What are the key properties of (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 398.92 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 9486733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).