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

C23H27N3OS — CID 3319992

IUPAC5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCC1SC(=NN=Cc2ccc(C)cc2)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C23H27N3OS/c1-4-5-10-21-22(27)26(16-20-9-7-6-8-18(20)3)23(28-21)25-24-15-19-13-11-17(2)12-14-19/h6-9,11-15,21H,4-5,10,16H2,1-3H3
InChIKeyXAXZJBPFFIGWMZ-UHFFFAOYSA-N
MW393.56 g/mol
LogP5.33
Rot. Bonds7

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

5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 3319992) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID3319992
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCC1SC(=NN=Cc2ccc(C)cc2)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C23H27N3OS/c1-4-5-10-21-22(27)26(16-20-9-7-6-8-18(20)3)23(28-21)25-24-15-19-13-11-17(2)12-14-19/h6-9,11-15,21H,4-5,10,16H2,1-3H3
InChIKeyXAXZJBPFFIGWMZ-UHFFFAOYSA-N
XLogP5.33
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 55.33
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,5S)-3-benzyl-5-butyl-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7407970
5-butyl-3-[(2-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 3412030
(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-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 3692288
(2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7403971
2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-ethyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 3330578
2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 3783813
2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 3794677
(2E,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 6580519
(2Z,5S)-3-benzyl-5-butyl-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7412162
(2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 46861454
(2Z)-2-[(E)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-butyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 46861478

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 3319992) is 5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCCCC1SC(=NN=Cc2ccc(C)cc2)N(Cc2ccccc2C)C1=O.
What is the InChIKey of 5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is XAXZJBPFFIGWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-4-5-10-21-22(27)26(16-20-9-7-6-8-18(20)3)23(28-21)25-24-15-19-13-11-17(2)12-14-19/h6-9,11-15,21H,4-5,10,16H2,1-3H3.
What are the key properties of 5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 393.56 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3319992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).