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

C17H13ClN2O3S — CID 135401109

IUPAC(5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)ccc1O
InChIInChI=1S/C17H13ClN2O3S/c1-23-14-8-10(6-7-13(14)21)9-15-16(22)20-17(24-15)19-12-5-3-2-4-11(12)18/h2-9,21H,1H3,(H,19,20,22)/b15-9-
InChIKeyCEYSJUACBKYCKN-DHDCSXOGSA-N
MW360.82 g/mol
LogP3.95
Rot. Bonds3

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

(5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135401109) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is (5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135401109
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC Name(5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)ccc1O
InChIInChI=1S/C17H13ClN2O3S/c1-23-14-8-10(6-7-13(14)21)9-15-16(22)20-17(24-15)19-12-5-3-2-4-11(12)18/h2-9,21H,1H3,(H,19,20,22)/b15-9-
InChIKeyCEYSJUACBKYCKN-DHDCSXOGSA-N
XLogP3.95
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-Hydroxy-3-methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135547290
5-(4-Hydroxy-3-methoxybenzylidene)-3-phenyl-2-(phenylimino)-1,3-thiazolidin-4-one
CID 1377804
5-[(Z)-1-(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyanilino)-1,3-thiazol-4-one
CID 135438929
(2Z,5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-((4-hydroxyphenyl)imino)thiazolidin-4-one
CID 135541115
(Z,Z)-5-(4-Hydroxy-3-methoxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236810
(Z,Z)-5-(3-Hydroxy-4-methoxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236934
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 70694820
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methoxyanilino)-1,3-thiazol-4-one
CID 135418651
(5E)-2-(4-hydroxyanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 135440086
(5E)-2-(4-hydroxyanilino)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 135460451
(Z)-5-(2,3-dimethoxybenzylidene)-2-(phenylamino)thiazol-4(5H)-one
CID 135529557
(2E,5E)-5-({4-[(2-Chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135846642

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135401109) is (5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1cc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)ccc1O.
What is the InChIKey of (5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is CEYSJUACBKYCKN-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c1-23-14-8-10(6-7-13(14)21)9-15-16(22)20-17(24-15)19-12-5-3-2-4-11(12)18/h2-9,21H,1H3,(H,19,20,22)/b15-9-.
What are the key properties of (5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 360.82 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135401109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).