5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one

C20H17FN4O3S — CID 3929143

IUPAC5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)C(Cc2ccc(F)cc2)SC1=NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H17FN4O3S/c1-2-11-24-19(26)18(12-14-3-7-16(21)8-4-14)29-20(24)23-22-13-15-5-9-17(10-6-15)25(27)28/h2-10,13,18H,1,11-12H2
InChIKeyGACGXBSELRICIU-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.80
Rot. Bonds7

About 5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one

5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 3929143) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID3929143
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC Name5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)C(Cc2ccc(F)cc2)SC1=NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H17FN4O3S/c1-2-11-24-19(26)18(12-14-3-7-16(21)8-4-14)29-20(24)23-22-13-15-5-9-17(10-6-15)25(27)28/h2-10,13,18H,1,11-12H2
InChIKeyGACGXBSELRICIU-UHFFFAOYSA-N
XLogP3.80
TPSA88.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 5193803
(2E)-5-[(3,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 16648312
(2E)-5-benzyl-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 16648309
(2Z,5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40972053
5-benzyl-2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 2856475
(2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 98147162
(2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 42034110
(2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7331928
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 2855983
(2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40512977
(2E,5R)-5-[(4-ethylphenyl)methyl]-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135974438
(2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 5341047

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 3929143) is 5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)C(Cc2ccc(F)cc2)SC1=NN=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is GACGXBSELRICIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c1-2-11-24-19(26)18(12-14-3-7-16(21)8-4-14)29-20(24)23-22-13-15-5-9-17(10-6-15)25(27)28/h2-10,13,18H,1,11-12H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 412.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3929143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).