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

C16H11ClN2O2S — CID 135499982

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(O)c2)S/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2S/c17-11-6-4-10(5-7-11)8-14-15(21)19-16(22-14)18-12-2-1-3-13(20)9-12/h1-9,20H,(H,18,19,21)/b14-8-
InChIKeyFDYVNKDLBNEGCO-ZSOIEALJSA-N
MW330.80 g/mol
LogP3.94
Rot. Bonds2

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

(5Z)-5-[(4-chlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135499982) has the molecular formula C16H11ClN2O2S and a molecular weight of 330.80 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135499982
Molecular FormulaC16H11ClN2O2S
Molecular Weight330.80 g/mol
Exact Mass330.02
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(O)c2)S/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2S/c17-11-6-4-10(5-7-11)8-14-15(21)19-16(22-14)18-12-2-1-3-13(20)9-12/h1-9,20H,(H,18,19,21)/b14-8-
InChIKeyFDYVNKDLBNEGCO-ZSOIEALJSA-N
XLogP3.94
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 53.94
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

5-Benzylidene-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135437758
(5Z)-5-(4-hydroxybenzylidene)-2-(phenylamino)-1,3-thiazol-4(5H)-one
CID 135435823
5-(4-Chlorobenzylidene)-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135492157
(5Z)-5-[(E)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 136002520
[4-[[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl] sulfamate
CID 155520952
2-(3-Hydroxy-phenylimino)-5-(3-nitro-benzylidene)-thiazolidin-4-one
CID 135464686
(5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135620546
(5Z)-2-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135620685
2-[(3-Hydroxyphenyl)amino]-5-[(3-hydroxyphenyl)methylene]-1,3-thiazolin-4-one
CID 135492171
(5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 137174989
2-(3-Chloro-4-fluorophenylimino)-5-(4-hydroxybenzylidene)-4-thiazolidinone
CID 135486705
2-[(4-Chlorophenyl)imino]-5-(4-hydroxybenzylidene)-3-methyl-1,3-thiazolidin-4-one
CID 2191136

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one (CID 135499982) is (5Z)-5-[(4-chlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2cccc(O)c2)S/C1=C\c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is FDYVNKDLBNEGCO-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H11ClN2O2S/c17-11-6-4-10(5-7-11)8-14-15(21)19-16(22-14)18-12-2-1-3-13(20)9-12/h1-9,20H,(H,18,19,21)/b14-8-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 330.80 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135499982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).