(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one

C24H22N2O2S — CID 135776721

IUPAC(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2c(C)cccc2C)NC1=O
InChIInChI=1S/C24H22N2O2S/c1-4-28-20-13-12-17-10-5-6-11-18(17)19(20)14-21-23(27)26-24(29-21)25-22-15(2)8-7-9-16(22)3/h5-14H,4H2,1-3H3,(H,25,26,27)/b21-14-
InChIKeyVSSBALXGQATWQJ-STZFKDTASA-N
MW402.52 g/mol
LogP5.75
Rot. Bonds4

About (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135776721) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135776721
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC Name(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2c(C)cccc2C)NC1=O
InChIInChI=1S/C24H22N2O2S/c1-4-28-20-13-12-17-10-5-6-11-18(17)19(20)14-21-23(27)26-24(29-21)25-22-15(2)8-7-9-16(22)3/h5-14H,4H2,1-3H3,(H,25,26,27)/b21-14-
InChIKeyVSSBALXGQATWQJ-STZFKDTASA-N
XLogP5.75
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)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

(5Z)-2-(3,4-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one
CID 135619467
(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135403838
5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135533915
(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135841138
[1-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate
CID 137043980
5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135486855
[1-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]naphthalen-2-yl] benzenesulfonate
CID 137137638
(5E)-2-(4-fluorophenyl)imino-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one
CID 137080362
[1-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]naphthalen-2-yl] naphthalene-1-carboxylate
CID 137043871
(5E)-2-(4-ethoxyphenyl)imino-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]-1,3-thiazolidin-4-one
CID 137079444
(5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135841157
(5E)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 137080469

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one (CID 135776721) is (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one is CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2c(C)cccc2C)NC1=O.
What is the InChIKey of (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is VSSBALXGQATWQJ-STZFKDTASA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-4-28-20-13-12-17-10-5-6-11-18(17)19(20)14-21-23(27)26-24(29-21)25-22-15(2)8-7-9-16(22)3/h5-14H,4H2,1-3H3,(H,25,26,27)/b21-14-.
What are the key properties of (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 402.52 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135776721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).