(5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

C23H22N2O3S — CID 9486964

IUPAC(5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESC#CCOc1ccc(/C=C2\S/C(=N/c3ccccc3C)N(CC)C2=O)cc1OC
InChIInChI=1S/C23H22N2O3S/c1-5-13-28-19-12-11-17(14-20(19)27-4)15-21-22(26)25(6-2)23(29-21)24-18-10-8-7-9-16(18)3/h1,7-12,14-15H,6,13H2,2-4H3/b21-15-,24-23+
InChIKeyJAHXTLDXBVIIMA-BRBBDLJVSA-N
MW406.51 g/mol
LogP4.64
Rot. Bonds6

About (5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

(5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 9486964) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is (5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID9486964
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name(5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESC#CCOc1ccc(/C=C2\S/C(=N/c3ccccc3C)N(CC)C2=O)cc1OC
InChIInChI=1S/C23H22N2O3S/c1-5-13-28-19-12-11-17(14-20(19)27-4)15-21-22(26)25(6-2)23(29-21)24-18-10-8-7-9-16(18)3/h1,7-12,14-15H,6,13H2,2-4H3/b21-15-,24-23+
InChIKeyJAHXTLDXBVIIMA-BRBBDLJVSA-N
XLogP4.64
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-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)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486897
(5E)-2-(3,4-dimethylphenyl)imino-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8990630
2-[[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27433511
(5Z)-3-benzyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2195740
2-(2,5-dimethylphenyl)imino-3-ethyl-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4053188
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 18843286
(5E)-5-[(4-bromophenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486949
(5E)-3-ethyl-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486958
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486781
methyl 2-[2-methoxy-4-[(Z)-[3-(2-methylphenyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 46886142
(5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8556773
(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 126250238

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (CID 9486964) is (5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is C#CCOc1ccc(/C=C2\S/C(=N/c3ccccc3C)N(CC)C2=O)cc1OC.
What is the InChIKey of (5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is JAHXTLDXBVIIMA-BRBBDLJVSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-5-13-28-19-12-11-17(14-20(19)27-4)15-21-22(26)25(6-2)23(29-21)24-18-10-8-7-9-16(18)3/h1,7-12,14-15H,6,13H2,2-4H3/b21-15-,24-23+.
What are the key properties of (5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 406.51 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 9486964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).