(2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C21H16N4O2S — CID 19246108

IUPAC(2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccccc2)S/C(=N/N=C\c2cccnc2)N1Cc1ccco1
InChIInChI=1S/C21H16N4O2S/c26-20-19(12-16-6-2-1-3-7-16)28-21(25(20)15-18-9-5-11-27-18)24-23-14-17-8-4-10-22-13-17/h1-14H,15H2/b19-12-,23-14-,24-21+
InChIKeyXSNKMVRQNPLVJF-FGWFFSPGSA-N
MW388.45 g/mol
LogP4.18
Rot. Bonds5

About (2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 19246108) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is (2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID19246108
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC Name(2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccccc2)S/C(=N/N=C\c2cccnc2)N1Cc1ccco1
InChIInChI=1S/C21H16N4O2S/c26-20-19(12-16-6-2-1-3-7-16)28-21(25(20)15-18-9-5-11-27-18)24-23-14-17-8-4-10-22-13-17/h1-14H,15H2/b19-12-,23-14-,24-21+
InChIKeyXSNKMVRQNPLVJF-FGWFFSPGSA-N
XLogP4.18
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

(2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246134
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 19246423
(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 19245939
(2Z,5Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 16627475
(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-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627796
(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)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246684
(2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19245980
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 19247008
(2Z,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732356
(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16628372

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 19246108) is (2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccccc2)S/C(=N/N=C\c2cccnc2)N1Cc1ccco1.
What is the InChIKey of (2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is XSNKMVRQNPLVJF-FGWFFSPGSA-N. The full InChI is InChI=1S/C21H16N4O2S/c26-20-19(12-16-6-2-1-3-7-16)28-21(25(20)15-18-9-5-11-27-18)24-23-14-17-8-4-10-22-13-17/h1-14H,15H2/b19-12-,23-14-,24-21+.
What are the key properties of (2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 388.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 19246108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).