(2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one

C23H28N4OS — CID 6580595

IUPAC(2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
SMILESCCC[C@@H]1S/C(=N/N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C23H28N4OS/c1-5-8-21-22(28)27(16-19-10-7-6-9-17(19)2)23(29-21)25-24-15-18-11-13-20(14-12-18)26(3)4/h6-7,9-15,21H,5,8,16H2,1-4H3/b24-15-,25-23+/t21-/m0/s1
InChIKeyIOFNLCLRZCYJCD-OZMFOMEYSA-N
MW408.57 g/mol
LogP4.70
Rot. Bonds7

About (2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one

(2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one (PubChem CID 6580595) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is (2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
PubChem CID6580595
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name(2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
SMILESCCC[C@@H]1S/C(=N/N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C23H28N4OS/c1-5-8-21-22(28)27(16-19-10-7-6-9-17(19)2)23(29-21)25-24-15-18-11-13-20(14-12-18)26(3)4/h6-7,9-15,21H,5,8,16H2,1-4H3/b24-15-,25-23+/t21-/m0/s1
InChIKeyIOFNLCLRZCYJCD-OZMFOMEYSA-N
XLogP4.70
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.70
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

5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 3319992
(2E,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 6580519
(2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 46861454
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-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 3773115
2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 3794677
5-butyl-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3834686
5-butyl-3-[(2-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 3412030
(2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7403971
(2Z,5S)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 7403905
(2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 39103625

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one (CID 6580595) is (2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one is CCC[C@@H]1S/C(=N/N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O.
What is the InChIKey of (2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is IOFNLCLRZCYJCD-OZMFOMEYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-5-8-21-22(28)27(16-19-10-7-6-9-17(19)2)23(29-21)25-24-15-18-11-13-20(14-12-18)26(3)4/h6-7,9-15,21H,5,8,16H2,1-4H3/b24-15-,25-23+/t21-/m0/s1.
What are the key properties of (2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
(2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 408.57 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6580595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).