5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C21H16FN3O2S — CID 135500177

IUPAC5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccc(-c3ccccc3F)o2)SC1Cc1ccccc1
InChIInChI=1S/C21H16FN3O2S/c22-17-9-5-4-8-16(17)18-11-10-15(27-18)13-23-25-21-24-20(26)19(28-21)12-14-6-2-1-3-7-14/h1-11,13,19H,12H2,(H,24,25,26)
InChIKeyGQIVIXUGLOGDMP-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.25
Rot. Bonds5

About 5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135500177) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135500177
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC Name5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccc(-c3ccccc3F)o2)SC1Cc1ccccc1
InChIInChI=1S/C21H16FN3O2S/c22-17-9-5-4-8-16(17)18-11-10-15(27-18)13-23-25-21-24-20(26)19(28-21)12-14-6-2-1-3-7-14/h1-11,13,19H,12H2,(H,24,25,26)
InChIKeyGQIVIXUGLOGDMP-UHFFFAOYSA-N
XLogP4.25
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135878944
(2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135736260
(2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135712180
(2E,5S)-5-[(3-chlorophenyl)methyl]-2-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136755697
(2Z,5R)-2-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-chlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135920456
(2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135711989
(2Z)-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135444134
(2Z)-2-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135451255
(2E)-5-[(4-chlorophenyl)methyl]-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135712029
5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135453536
2-[(E)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 137186429
(2Z)-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135451252

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135500177) is 5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1NC(=NN=Cc2ccc(-c3ccccc3F)o2)SC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is GQIVIXUGLOGDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c22-17-9-5-4-8-16(17)18-11-10-15(27-18)13-23-25-21-24-20(26)19(28-21)12-14-6-2-1-3-7-14/h1-11,13,19H,12H2,(H,24,25,26).
What are the key properties of 5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 393.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135500177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).