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

C16H12N2O3S — CID 135498616

IUPAC(5Z)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1cccc(O)c1
InChIInChI=1S/C16H12N2O3S/c19-12-6-4-11(5-7-12)17-16-18-15(21)14(22-16)9-10-2-1-3-13(20)8-10/h1-9,19-20H,(H,17,18,21)/b14-9-
InChIKeyCAPZXRDSWFVEET-ZROIWOOFSA-N
MW312.35 g/mol
LogP2.99
Rot. Bonds2

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

(5Z)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135498616) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is (5Z)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135498616
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name(5Z)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1cccc(O)c1
InChIInChI=1S/C16H12N2O3S/c19-12-6-4-11(5-7-12)17-16-18-15(21)14(22-16)9-10-2-1-3-13(20)8-10/h1-9,19-20H,(H,17,18,21)/b14-9-
InChIKeyCAPZXRDSWFVEET-ZROIWOOFSA-N
XLogP2.99
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.99
H-Bond Donors ≤ 53
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

(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
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
(5Z)-2-(4-hydroxy-N-methylanilino)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazol-4-one
CID 1181853
(Z,Z)-5-(3-Hydroxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236933
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methoxyanilino)-1,3-thiazol-4-one
CID 135418651
(5Z)-5-(4-hydroxybenzylidene)-2-(phenylamino)-1,3-thiazol-4(5H)-one
CID 135435823
(5E)-2-(4-hydroxyanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 135440086
2-[(4-Methoxyphenyl)imino]-5-(3-phenyl-2-propen-1-ylidene)-1,3-thiazolidin-4-one
CID 135460598
5-[2-(4-Fluorophenyl)-2-oxoethyl]-2-[(4-hydroxyphenyl)azamethylene]-1,3-thiazo lidin-4-one
CID 135478983

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135498616) is (5Z)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1cccc(O)c1.
What is the InChIKey of (5Z)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is CAPZXRDSWFVEET-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-12-6-4-11(5-7-12)17-16-18-15(21)14(22-16)9-10-2-1-3-13(20)8-10/h1-9,19-20H,(H,17,18,21)/b14-9-.
What are the key properties of (5Z)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 312.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135498616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).