(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one

C17H15N3O4S — CID 135438890

IUPAC(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N/N=C2/SCC(=O)N2c2ccc(O)cc2)ccc1O
InChIInChI=1S/C17H15N3O4S/c1-24-15-8-11(2-7-14(15)22)9-18-19-17-20(16(23)10-25-17)12-3-5-13(21)6-4-12/h2-9,21-22H,10H2,1H3/b18-9+,19-17+
InChIKeyKCQPMBIHCDPQBJ-JCAVOIIISA-N
MW357.39 g/mol
LogP2.58
Rot. Bonds4

About (2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one

(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 135438890) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is (2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
PubChem CID135438890
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N/N=C2/SCC(=O)N2c2ccc(O)cc2)ccc1O
InChIInChI=1S/C17H15N3O4S/c1-24-15-8-11(2-7-14(15)22)9-18-19-17-20(16(23)10-25-17)12-3-5-13(21)6-4-12/h2-9,21-22H,10H2,1H3/b18-9+,19-17+
InChIKeyKCQPMBIHCDPQBJ-JCAVOIIISA-N
XLogP2.58
TPSA94.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one (CID 135438890) is (2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one is COc1cc(/C=N/N=C2/SCC(=O)N2c2ccc(O)cc2)ccc1O.
What is the InChIKey of (2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is KCQPMBIHCDPQBJ-JCAVOIIISA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-24-15-8-11(2-7-14(15)22)9-18-19-17-20(16(23)10-25-17)12-3-5-13(21)6-4-12/h2-9,21-22H,10H2,1H3/b18-9+,19-17+.
What are the key properties of (2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 357.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135438890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).