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

C17H14N2O2S — CID 135574941

IUPAC(5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccccc2)S/C1=C\c1ccc(O)cc1
InChIInChI=1S/C17H14N2O2S/c20-14-8-6-12(7-9-14)10-15-16(21)19-17(22-15)18-11-13-4-2-1-3-5-13/h1-10,20H,11H2,(H,18,19,21)/b15-10-
InChIKeyRHKRIBIRDXKLEM-GDNBJRDFSA-N
MW310.38 g/mol
LogP3.15
Rot. Bonds3

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

(5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135574941) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is (5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135574941
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name(5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccccc2)S/C1=C\c1ccc(O)cc1
InChIInChI=1S/C17H14N2O2S/c20-14-8-6-12(7-9-14)10-15-16(21)19-17(22-15)18-11-13-4-2-1-3-5-13/h1-10,20H,11H2,(H,18,19,21)/b15-10-
InChIKeyRHKRIBIRDXKLEM-GDNBJRDFSA-N
XLogP3.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.15
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

Mirin
CID 1206243
(5E)-5-(4-hydroxybenzylidene)-2-imino-1,3-thiazolidin-4-one
CID 1206242
(5Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 6537244
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
(5E)-2-(benzylamino)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 135486338
(5Z)-5-(4-fluorobenzylidene)-2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135498609
5-(4-Hydroxy-benzylidene)-2-(4-methyl-piperidin-1-yl)-thiazol-4-one
CID 1725836
(Z)-2-amino-5-(4-hydroxybenzylidene)thiazol-4(5H)-one
CID 137319711
5-(4-Hydroxybenzylidene)-2-iminothiazolidin-4-one
CID 145945963
(Z)-2-(4-benzylpiperazin-1-yl)-5-(4-hydroxybenzylidene)thiazol-4(5H)-one
CID 1913642
(E)-2-(4-benzylpiperazin-1-yl)-5-(4-hydroxybenzylidene)thiazol-4(5H)-one
CID 1913644

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135574941) is (5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\Cc2ccccc2)S/C1=C\c1ccc(O)cc1.
What is the InChIKey of (5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is RHKRIBIRDXKLEM-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-14-8-6-12(7-9-14)10-15-16(21)19-17(22-15)18-11-13-4-2-1-3-5-13/h1-10,20H,11H2,(H,18,19,21)/b15-10-.
What are the key properties of (5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 310.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135574941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).