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

C22H17N3O4S — CID 135732315

IUPAC(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)S/C(=N\N=C\c2ccc(O)cc2)N1Cc1ccco1
InChIInChI=1S/C22H17N3O4S/c26-17-7-3-15(4-8-17)12-20-21(28)25(14-19-2-1-11-29-19)22(30-20)24-23-13-16-5-9-18(27)10-6-16/h1-13,26-27H,14H2/b20-12-,23-13+,24-22-
InChIKeyXUNXUIGIKUNSFZ-NONOYVAMSA-N
MW419.46 g/mol
LogP4.20
Rot. Bonds5

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

(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135732315) has the molecular formula C22H17N3O4S and a molecular weight of 419.46 g/mol. Its IUPAC name is (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135732315
Molecular FormulaC22H17N3O4S
Molecular Weight419.46 g/mol
Exact Mass419.09
IUPAC Name(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)S/C(=N\N=C\c2ccc(O)cc2)N1Cc1ccco1
InChIInChI=1S/C22H17N3O4S/c26-17-7-3-15(4-8-17)12-20-21(28)25(14-19-2-1-11-29-19)22(30-20)24-23-13-16-5-9-18(27)10-6-16/h1-13,26-27H,14H2/b20-12-,23-13+,24-22-
InChIKeyXUNXUIGIKUNSFZ-NONOYVAMSA-N
XLogP4.20
TPSA98.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.20
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

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Related Compounds

(2Z,5Z)-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732323
(2Z,5Z)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627796
(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)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19245980
(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135996178
(2Z,5Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16627852
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxyphenyl)methylidenehydrazinylidene]-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135772819
(2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732448
(2Z,5Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 16627475
3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5035491
(2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246684
(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627819

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135732315) is (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(O)cc2)S/C(=N\N=C\c2ccc(O)cc2)N1Cc1ccco1.
What is the InChIKey of (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is XUNXUIGIKUNSFZ-NONOYVAMSA-N. The full InChI is InChI=1S/C22H17N3O4S/c26-17-7-3-15(4-8-17)12-20-21(28)25(14-19-2-1-11-29-19)22(30-20)24-23-13-16-5-9-18(27)10-6-16/h1-13,26-27H,14H2/b20-12-,23-13+,24-22-.
What are the key properties of (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 419.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135732315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).