2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one

C20H19BrFN3OS — CID 3733865

IUPAC2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1SC(=NN=Cc2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C20H19BrFN3OS/c1-2-3-18-19(26)25(13-15-6-10-17(22)11-7-15)20(27-18)24-23-12-14-4-8-16(21)9-5-14/h4-12,18H,2-3,13H2,1H3
InChIKeyFMMOZPPXADXNAA-UHFFFAOYSA-N
MW448.36 g/mol
LogP5.22
Rot. Bonds6

About 2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one

2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one (PubChem CID 3733865) has the molecular formula C20H19BrFN3OS and a molecular weight of 448.36 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
PubChem CID3733865
Molecular FormulaC20H19BrFN3OS
Molecular Weight448.36 g/mol
Exact Mass447.04
IUPAC Name2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1SC(=NN=Cc2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C20H19BrFN3OS/c1-2-3-18-19(26)25(13-15-6-10-17(22)11-7-15)20(27-18)24-23-12-14-4-8-16(21)9-5-14/h4-12,18H,2-3,13H2,1H3
InChIKeyFMMOZPPXADXNAA-UHFFFAOYSA-N
XLogP5.22
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.36
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 46861462
(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-butyl-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 7409708
5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3834686
(2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
CID 6885265
(2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-ethyl-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 27480766
(2Z,5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40972053
(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
(2E,5R)-3-benzyl-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 51711026
(2Z,5R)-5-butyl-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 7408042
2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-thiazolidin-4-one
CID 3608730
(2Z)-3-[(4-fluorophenyl)methyl]-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 46861400

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one (CID 3733865) is 2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one is CCCC1SC(=NN=Cc2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is FMMOZPPXADXNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN3OS/c1-2-3-18-19(26)25(13-15-6-10-17(22)11-7-15)20(27-18)24-23-12-14-4-8-16(21)9-5-14/h4-12,18H,2-3,13H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 448.36 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3733865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).