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

C18H16N2O5S — CID 135541115

IUPAC(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc(OC)c1O
InChIInChI=1S/C18H16N2O5S/c1-24-13-7-10(8-14(25-2)16(13)22)9-15-17(23)20-18(26-15)19-11-3-5-12(21)6-4-11/h3-9,21-22H,1-2H3,(H,19,20,23)/b15-9-
InChIKeyPCLFSFQEDFZNSB-DHDCSXOGSA-N
MW372.40 g/mol
LogP3.01
Rot. Bonds4

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

(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135541115) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135541115
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc(OC)c1O
InChIInChI=1S/C18H16N2O5S/c1-24-13-7-10(8-14(25-2)16(13)22)9-15-17(23)20-18(26-15)19-11-3-5-12(21)6-4-11/h3-9,21-22H,1-2H3,(H,19,20,23)/b15-9-
InChIKeyPCLFSFQEDFZNSB-DHDCSXOGSA-N
XLogP3.01
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(2,4-Dimethoxybenzylidene)-2-phenyliminothiazolidin-4-one
CID 135403787
(2z,5z)-2-[(2-Chlorophenyl)imino]-5-(4-Hydroxy-3-Methoxybenzylidene)-1,3-Thiazolidin-4-One
CID 135401109
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
3-{[(2E,5Z)-3-methyl-4-oxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-2-ylidene]amino}benzoic acid
CID 5766625
(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
Ethyl 5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydro-3-thiophenecarboxylate
CID 135425052
(5E)-2-(4-hydroxyanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 135440086

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (CID 135541115) is (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is COc1cc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc(OC)c1O.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is PCLFSFQEDFZNSB-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-24-13-7-10(8-14(25-2)16(13)22)9-15-17(23)20-18(26-15)19-11-3-5-12(21)6-4-11/h3-9,21-22H,1-2H3,(H,19,20,23)/b15-9-.
What are the key properties of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 372.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135541115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).