(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

C17H16N2O4S — CID 141313690

IUPAC(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\C(=O)NC\S2=N/c2ccc(O)cc2)ccc1O
InChIInChI=1S/C17H16N2O4S/c1-23-15-8-11(2-7-14(15)21)9-16-17(22)18-10-24(16)19-12-3-5-13(20)6-4-12/h2-9,20-21H,10H2,1H3,(H,18,22)/b16-9+
InChIKeyLWAHDVIFRTZATI-CXUHLZMHSA-N
MW344.39 g/mol
LogP2.67
Rot. Bonds3

About (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 141313690) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID141313690
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\C(=O)NC\S2=N/c2ccc(O)cc2)ccc1O
InChIInChI=1S/C17H16N2O4S/c1-23-15-8-11(2-7-14(15)21)9-16-17(22)18-10-24(16)19-12-3-5-13(20)6-4-12/h2-9,20-21H,10H2,1H3,(H,18,22)/b16-9+
InChIKeyLWAHDVIFRTZATI-CXUHLZMHSA-N
XLogP2.67
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (CID 141313690) is (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is COc1cc(/C=C2\C(=O)NC\S2=N/c2ccc(O)cc2)ccc1O.
What is the InChIKey of (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is LWAHDVIFRTZATI-CXUHLZMHSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-23-15-8-11(2-7-14(15)21)9-16-17(22)18-10-24(16)19-12-3-5-13(20)6-4-12/h2-9,20-21H,10H2,1H3,(H,18,22)/b16-9+.
What are the key properties of (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 344.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 141313690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).