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

C22H24N2O3S — CID 135841157

IUPAC(5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCCOc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc1OC
InChIInChI=1S/C22H24N2O3S/c1-5-11-27-17-10-9-16(12-18(17)26-4)13-19-21(25)24-22(28-19)23-20-14(2)7-6-8-15(20)3/h6-10,12-13H,5,11H2,1-4H3,(H,23,24,25)/b19-13-
InChIKeyLILTZQQRNNEHII-UYRXBGFRSA-N
MW396.51 g/mol
LogP4.99
Rot. Bonds6

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

(5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135841157) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is (5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135841157
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name(5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCCOc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc1OC
InChIInChI=1S/C22H24N2O3S/c1-5-11-27-17-10-9-16(12-18(17)26-4)13-19-21(25)24-22(28-19)23-20-14(2)7-6-8-15(20)3/h6-10,12-13H,5,11H2,1-4H3,(H,23,24,25)/b19-13-
InChIKeyLILTZQQRNNEHII-UYRXBGFRSA-N
XLogP4.99
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(5Z)-5-[(3-methoxy-4-propoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135841224
(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135500978
5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135486855
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(3-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137062783
(5Z)-2-(3-chloro-4-methylphenyl)imino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137064730
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135420895
(5Z)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137069971
(5Z)-5-[(3-bromo-4-propoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137074846
(5E)-2-(4-ethoxyphenyl)imino-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137139130
(5Z)-2-[[(4R,10S)-4,10-diphenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl]imino]-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137044609
5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135486856
ethyl 2-[2-methoxy-4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 137035923

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135841157) is (5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one is CCCOc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc1OC.
What is the InChIKey of (5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is LILTZQQRNNEHII-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-5-11-27-17-10-9-16(12-18(17)26-4)13-19-21(25)24-22(28-19)23-20-14(2)7-6-8-15(20)3/h6-10,12-13H,5,11H2,1-4H3,(H,23,24,25)/b19-13-.
What are the key properties of (5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 396.51 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135841157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).