(2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

C24H18ClN3O3S — CID 135773048

IUPAC(2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/C=C/c2ccccc2)S/C(=N/N=C\c2cc(Cl)ccc2O)N1Cc1ccco1
InChIInChI=1S/C24H18ClN3O3S/c25-19-11-12-21(29)18(14-19)15-26-27-24-28(16-20-9-5-13-31-20)23(30)22(32-24)10-4-8-17-6-2-1-3-7-17/h1-15,29H,16H2/b8-4+,22-10-,26-15-,27-24+
InChIKeyPABHQSUYSDZOQD-FZHZVNPQSA-N
MW463.95 g/mol
LogP5.70
Rot. Bonds6

About (2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

(2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 135773048) has the molecular formula C24H18ClN3O3S and a molecular weight of 463.95 g/mol. Its IUPAC name is (2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID135773048
Molecular FormulaC24H18ClN3O3S
Molecular Weight463.95 g/mol
Exact Mass463.08
IUPAC Name(2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/C=C/c2ccccc2)S/C(=N/N=C\c2cc(Cl)ccc2O)N1Cc1ccco1
InChIInChI=1S/C24H18ClN3O3S/c25-19-11-12-21(29)18(14-19)15-26-27-24-28(16-20-9-5-13-31-20)23(30)22(32-24)10-4-8-17-6-2-1-3-7-17/h1-15,29H,16H2/b8-4+,22-10-,26-15-,27-24+
InChIKeyPABHQSUYSDZOQD-FZHZVNPQSA-N
XLogP5.70
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.95
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 16628375
(2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135773097
(2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732448
(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)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135773086
(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
(2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135732540
(2Z,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732467
2-[2-[(Z)-[(2E)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 135773058
2-[4-chloro-2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 135772973
2-[2-[(Z)-[(2Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 135732556
(2Z,5Z)-5-benzylidene-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135732608

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 135773048) is (2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is O=C1/C(=C/C=C/c2ccccc2)S/C(=N/N=C\c2cc(Cl)ccc2O)N1Cc1ccco1.
What is the InChIKey of (2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is PABHQSUYSDZOQD-FZHZVNPQSA-N. The full InChI is InChI=1S/C24H18ClN3O3S/c25-19-11-12-21(29)18(14-19)15-26-27-24-28(16-20-9-5-13-31-20)23(30)22(32-24)10-4-8-17-6-2-1-3-7-17/h1-15,29H,16H2/b8-4+,22-10-,26-15-,27-24+.
What are the key properties of (2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 463.95 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135773048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).