2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

C23H20BrN3OS — CID 3724860

IUPAC2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCC1SC(=NN=Cc2ccc(Br)cc2)N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C23H20BrN3OS/c1-2-21-22(28)27(15-18-8-5-7-17-6-3-4-9-20(17)18)23(29-21)26-25-14-16-10-12-19(24)13-11-16/h3-14,21H,2,15H2,1H3
InChIKeyUTPGHJHEAGQVEP-UHFFFAOYSA-N
MW466.40 g/mol
LogP5.85
Rot. Bonds5

About 2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 3724860) has the molecular formula C23H20BrN3OS and a molecular weight of 466.40 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID3724860
Molecular FormulaC23H20BrN3OS
Molecular Weight466.40 g/mol
Exact Mass465.05
IUPAC Name2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCC1SC(=NN=Cc2ccc(Br)cc2)N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C23H20BrN3OS/c1-2-21-22(28)27(15-18-8-5-7-17-6-3-4-9-20(17)18)23(29-21)26-25-14-16-10-12-19(24)13-11-16/h3-14,21H,2,15H2,1H3
InChIKeyUTPGHJHEAGQVEP-UHFFFAOYSA-N
XLogP5.85
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.40
LogP ≤ 55.85
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

(2E,5S)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 6583921
2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 3783813
5-ethyl-3-(naphthalen-1-ylmethyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172924032
(2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 7403799
(2Z,5S)-5-ethyl-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 7411954
2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-ethyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 3330578
(2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7403919
5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 3337148
(2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 6581784
(2E,5R)-3-benzyl-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 51711026
2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 3733865
(2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 46861416

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (CID 3724860) is 2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is CCC1SC(=NN=Cc2ccc(Br)cc2)N(Cc2cccc3ccccc23)C1=O.
What is the InChIKey of 2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is UTPGHJHEAGQVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3OS/c1-2-21-22(28)27(15-18-8-5-7-17-6-3-4-9-20(17)18)23(29-21)26-25-14-16-10-12-19(24)13-11-16/h3-14,21H,2,15H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 466.40 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3724860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).