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

C22H16ClN3O3S — CID 135732448

IUPAC(2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\N=C\c2ccccc2O)N1Cc1ccco1
InChIInChI=1S/C22H16ClN3O3S/c23-17-9-7-15(8-10-17)12-20-21(28)26(14-18-5-3-11-29-18)22(30-20)25-24-13-16-4-1-2-6-19(16)27/h1-13,27H,14H2/b20-12-,24-13+,25-22-
InChIKeyBGERQYADOWALHU-KKBWUGQYSA-N
MW437.91 g/mol
LogP5.15
Rot. Bonds5

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

(2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135732448) has the molecular formula C22H16ClN3O3S and a molecular weight of 437.91 g/mol. Its IUPAC name is (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135732448
Molecular FormulaC22H16ClN3O3S
Molecular Weight437.91 g/mol
Exact Mass437.06
IUPAC Name(2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\N=C\c2ccccc2O)N1Cc1ccco1
InChIInChI=1S/C22H16ClN3O3S/c23-17-9-7-15(8-10-17)12-20-21(28)26(14-18-5-3-11-29-18)22(30-20)25-24-13-16-4-1-2-6-19(16)27/h1-13,27H,14H2/b20-12-,24-13+,25-22-
InChIKeyBGERQYADOWALHU-KKBWUGQYSA-N
XLogP5.15
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.91
LogP ≤ 55.15
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)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627796
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135772941
(2Z,5Z)-2-[(E)-(2,3-dichlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16628093
(2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135773086
(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135732450
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732315
(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-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135772942
(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627819
(2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16628369
(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
(2E,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246996

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135732448) is (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\N=C\c2ccccc2O)N1Cc1ccco1.
What is the InChIKey of (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is BGERQYADOWALHU-KKBWUGQYSA-N. The full InChI is InChI=1S/C22H16ClN3O3S/c23-17-9-7-15(8-10-17)12-20-21(28)26(14-18-5-3-11-29-18)22(30-20)25-24-13-16-4-1-2-6-19(16)27/h1-13,27H,14H2/b20-12-,24-13+,25-22-.
What are the key properties of (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 437.91 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135732448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).