5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

C23H27FN4OS — CID 3834686

IUPAC5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCCCCC1SC(=NN=Cc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C23H27FN4OS/c1-4-5-6-21-22(29)28(16-18-7-11-19(24)12-8-18)23(30-21)26-25-15-17-9-13-20(14-10-17)27(2)3/h7-15,21H,4-6,16H2,1-3H3
InChIKeyPXVASMBNOOQXDT-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.92
Rot. Bonds8

About 5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3834686) has the molecular formula C23H27FN4OS and a molecular weight of 426.56 g/mol. Its IUPAC name is 5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3834686
Molecular FormulaC23H27FN4OS
Molecular Weight426.56 g/mol
Exact Mass426.19
IUPAC Name5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCCCCC1SC(=NN=Cc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C23H27FN4OS/c1-4-5-6-21-22(29)28(16-18-7-11-19(24)12-8-18)23(30-21)26-25-15-17-9-13-20(14-10-17)27(2)3/h7-15,21H,4-6,16H2,1-3H3
InChIKeyPXVASMBNOOQXDT-UHFFFAOYSA-N
XLogP4.92
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.92
H-Bond Donors ≤ 50
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,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-butyl-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 7409708
2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 3733865
(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 46861462
(2Z,5S)-3-benzyl-5-butyl-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7412162
(2Z,5S)-3-benzyl-5-butyl-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7407970
(2Z,5R)-5-butyl-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 7408042
(2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 6580595
5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 3319992
(2Z,5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40972053
(2Z,5S)-5-butyl-3-[(4-methoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7461310
(2Z,5R)-5-butyl-3-[(4-methoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7461309
(2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
CID 6885265

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 3834686) is 5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is CCCCC1SC(=NN=Cc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is PXVASMBNOOQXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4OS/c1-4-5-6-21-22(29)28(16-18-7-11-19(24)12-8-18)23(30-21)26-25-15-17-9-13-20(14-10-17)27(2)3/h7-15,21H,4-6,16H2,1-3H3.
What are the key properties of 5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 426.56 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3834686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).