(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

C23H19N3O5S — CID 135772860

IUPAC(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N\N=C2\S/C(=C\c3ccccc3O)C(=O)N2Cc2ccco2)ccc1O
InChIInChI=1S/C23H19N3O5S/c1-30-20-11-15(8-9-19(20)28)13-24-25-23-26(14-17-6-4-10-31-17)22(29)21(32-23)12-16-5-2-3-7-18(16)27/h2-13,27-28H,14H2,1H3/b21-12-,24-13-,25-23+
InChIKeyQTSQIHVGQANRAA-BOHOYIFISA-N
MW449.49 g/mol
LogP4.21
Rot. Bonds6

About (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135772860) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135772860
Molecular FormulaC23H19N3O5S
Molecular Weight449.49 g/mol
Exact Mass449.10
IUPAC Name(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N\N=C2\S/C(=C\c3ccccc3O)C(=O)N2Cc2ccco2)ccc1O
InChIInChI=1S/C23H19N3O5S/c1-30-20-11-15(8-9-19(20)28)13-24-25-23-26(14-17-6-4-10-31-17)22(29)21(32-23)12-16-5-2-3-7-18(16)27/h2-13,27-28H,14H2,1H3/b21-12-,24-13-,25-23+
InChIKeyQTSQIHVGQANRAA-BOHOYIFISA-N
XLogP4.21
TPSA107.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732356
(2E,5Z)-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135772858
(2E,5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246779
(2Z,5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627602
(2E,5Z)-2-[(Z)-(3-bromophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 19246638
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-[(E)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16628006
(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 19245957
(2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135732423
(2E,5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135772942
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16628396
(2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16628147
(2E,5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135772921

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135772860) is (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1cc(/C=N\N=C2\S/C(=C\c3ccccc3O)C(=O)N2Cc2ccco2)ccc1O.
What is the InChIKey of (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is QTSQIHVGQANRAA-BOHOYIFISA-N. The full InChI is InChI=1S/C23H19N3O5S/c1-30-20-11-15(8-9-19(20)28)13-24-25-23-26(14-17-6-4-10-31-17)22(29)21(32-23)12-16-5-2-3-7-18(16)27/h2-13,27-28H,14H2,1H3/b21-12-,24-13-,25-23+.
What are the key properties of (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 449.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135772860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).