(5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one

C21H20N2O2S — CID 27435642

IUPAC(5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2ccc(CC)cc2)S/C1=N/c1ccc(O)cc1
InChIInChI=1S/C21H20N2O2S/c1-3-13-23-20(25)19(14-16-7-5-15(4-2)6-8-16)26-21(23)22-17-9-11-18(24)12-10-17/h3,5-12,14,24H,1,4,13H2,2H3/b19-14-,22-21+
InChIKeyGVPCFTMHWIEDFG-GKVQKNEHSA-N
MW364.47 g/mol
LogP4.74
Rot. Bonds5

About (5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one

(5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 27435642) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is (5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID27435642
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name(5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2ccc(CC)cc2)S/C1=N/c1ccc(O)cc1
InChIInChI=1S/C21H20N2O2S/c1-3-13-23-20(25)19(14-16-7-5-15(4-2)6-8-16)26-21(23)22-17-9-11-18(24)12-10-17/h3,5-12,14,24H,1,4,13H2,2H3/b19-14-,22-21+
InChIKeyGVPCFTMHWIEDFG-GKVQKNEHSA-N
XLogP4.74
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-[[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27431586
(5Z)-2-(4-hydroxyphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27408714
2-[[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27431131
(5E)-5-[(4-hydroxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one
CID 9484669
(2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18842853
(5Z)-5-benzylidene-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27408695
5-benzylidene-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 5182152
(5Z)-5-benzylidene-2-(4-ethoxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 6229397
(5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 6392227
(5Z)-3-ethyl-2-(4-hydroxyphenyl)imino-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 27436563
2-(4-ethylphenyl)imino-3-methyl-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4035970
N-[5-[(4-bromophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-4-ethylbenzenesulfonamide
CID 3331759

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 27435642) is (5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C/c2ccc(CC)cc2)S/C1=N/c1ccc(O)cc1.
What is the InChIKey of (5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is GVPCFTMHWIEDFG-GKVQKNEHSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-3-13-23-20(25)19(14-16-7-5-15(4-2)6-8-16)26-21(23)22-17-9-11-18(24)12-10-17/h3,5-12,14,24H,1,4,13H2,2H3/b19-14-,22-21+.
What are the key properties of (5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one?
(5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 364.47 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 27435642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).