(5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one

C21H18N2O2S — CID 6392227

IUPAC(5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1ccc(O)cc1
InChIInChI=1S/C21H18N2O2S/c1-2-15-23-20(25)19(10-6-9-16-7-4-3-5-8-16)26-21(23)22-17-11-13-18(24)14-12-17/h2-14,24H,1,15H2/b9-6+,19-10-,22-21+
InChIKeyMNLOEHORTCEPKV-LPPPHMSCSA-N
MW362.45 g/mol
LogP4.74
Rot. Bonds5

About (5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one

(5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 6392227) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is (5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID6392227
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name(5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1ccc(O)cc1
InChIInChI=1S/C21H18N2O2S/c1-2-15-23-20(25)19(10-6-9-16-7-4-3-5-8-16)26-21(23)22-17-11-13-18(24)14-12-17/h2-14,24H,1,15H2/b9-6+,19-10-,22-21+
InChIKeyMNLOEHORTCEPKV-LPPPHMSCSA-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 ≤ 500362.45
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

(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-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27435642
(5Z)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 6366658
(5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 20836362
(5Z)-2-(4-hydroxyphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27408714
(5Z)-5-benzylidene-2-(4-ethoxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 6229397
(5Z)-3-(1H-benzimidazol-2-ylmethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 54612721
(5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 1231522
2-[(5Z)-2,4-dioxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-3-yl]acetic acid
CID 1335217
2-hydroxy-4-[[(5Z)-4-oxo-3-prop-2-enyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27429972
2-[[(5Z)-5-benzylidene-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27431120

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 6392227) is (5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1ccc(O)cc1.
What is the InChIKey of (5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is MNLOEHORTCEPKV-LPPPHMSCSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-2-15-23-20(25)19(10-6-9-16-7-4-3-5-8-16)26-21(23)22-17-11-13-18(24)14-12-17/h2-14,24H,1,15H2/b9-6+,19-10-,22-21+.
What are the key properties of (5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
(5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 362.45 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)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6392227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).