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

C18H14N2O2S — CID 137174989

IUPAC(5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(O)cc2)S/C1=C\C=C/c1ccccc1
InChIInChI=1S/C18H14N2O2S/c21-15-11-9-14(10-12-15)19-18-20-17(22)16(23-18)8-4-7-13-5-2-1-3-6-13/h1-12,21H,(H,19,20,22)/b7-4-,16-8-
InChIKeyXCFJKBZYYCXPMI-HASPRUBHSA-N
MW322.39 g/mol
LogP3.84
Rot. Bonds3

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

(5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 137174989) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is (5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID137174989
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name(5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(O)cc2)S/C1=C\C=C/c1ccccc1
InChIInChI=1S/C18H14N2O2S/c21-15-11-9-14(10-12-15)19-18-20-17(22)16(23-18)8-4-7-13-5-2-1-3-6-13/h1-12,21H,(H,19,20,22)/b7-4-,16-8-
InChIKeyXCFJKBZYYCXPMI-HASPRUBHSA-N
XLogP3.84
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E,5Z)-2-((4-methoxyphenyl)imino)-5-((E)-3-phenylallylidene)thiazolidin-4-one
CID 135418650
5-Benzylidene-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135437758
2-{(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-(4-methylphenyl)acetamide
CID 135439771
5-(4-Methoxy-benzylidene)-2-phenylimino-thiazolidin-4-one
CID 135465730
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 24957033
5-[(Z)-1-(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyanilino)-1,3-thiazol-4-one
CID 135438929
(2E,5Z)-5-(4-(dimethylamino)benzylidene)-2-((4-hydroxyphenyl)imino)thiazolidin-4-one
CID 135498601
2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135435921
3-(4-Fluorophenyl)-5-(4-hydroxybenzylidene)-2-imino-1,3-thiazolidin-4-one
CID 1258959
(5Z)-2-(4-hydroxy-N-methylanilino)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazol-4-one
CID 1181853
(Z,Z)-5-(4-Hydroxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236807
(Z,Z)-5-(3-Hydroxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236933

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 137174989) is (5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\C=C/c1ccccc1.
What is the InChIKey of (5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is XCFJKBZYYCXPMI-HASPRUBHSA-N. The full InChI is InChI=1S/C18H14N2O2S/c21-15-11-9-14(10-12-15)19-18-20-17(22)16(23-18)8-4-7-13-5-2-1-3-6-13/h1-12,21H,(H,19,20,22)/b7-4-,16-8-.
What are the key properties of (5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 322.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137174989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).