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

C22H15BrClN3O4S — CID 135773097

IUPAC(2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N/N=C\c2cc(Br)ccc2O)N1Cc1ccco1
InChIInChI=1S/C22H15BrClN3O4S/c23-15-3-5-19(29)14(8-15)11-25-26-22-27(12-17-2-1-7-31-17)21(30)20(32-22)10-13-9-16(24)4-6-18(13)28/h1-11,28-29H,12H2/b20-10-,25-11-,26-22+
InChIKeyFTLSRKBBUXZOGO-WDELQTTBSA-N
MW532.80 g/mol
LogP5.61
Rot. Bonds5

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

(2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 135773097) has the molecular formula C22H15BrClN3O4S and a molecular weight of 532.80 g/mol. Its IUPAC name is (2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID135773097
Molecular FormulaC22H15BrClN3O4S
Molecular Weight532.80 g/mol
Exact Mass530.97
IUPAC Name(2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N/N=C\c2cc(Br)ccc2O)N1Cc1ccco1
InChIInChI=1S/C22H15BrClN3O4S/c23-15-3-5-19(29)14(8-15)11-25-26-22-27(12-17-2-1-7-31-17)21(30)20(32-22)10-13-9-16(24)4-6-18(13)28/h1-11,28-29H,12H2/b20-10-,25-11-,26-22+
InChIKeyFTLSRKBBUXZOGO-WDELQTTBSA-N
XLogP5.61
TPSA98.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.80
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732467
(2E,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135773142
(2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135773086
2-[2-[(Z)-[(2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide
CID 135773105
(2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135732576
(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)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135772921
(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
(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-bromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 16628507
(2E,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246445
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

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (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) is (2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N/N=C\c2cc(Br)ccc2O)N1Cc1ccco1.
What is the InChIKey of (2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is FTLSRKBBUXZOGO-WDELQTTBSA-N. The full InChI is InChI=1S/C22H15BrClN3O4S/c23-15-3-5-19(29)14(8-15)11-25-26-22-27(12-17-2-1-7-31-17)21(30)20(32-22)10-13-9-16(24)4-6-18(13)28/h1-11,28-29H,12H2/b20-10-,25-11-,26-22+.
What are the key properties of (2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
(2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 532.80 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135773097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).