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

C20H22N4OS — CID 137179848

IUPAC2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1cccc(CC2SC(=N/N=C/c3ccc(N(C)C)cc3)NC2=O)c1
InChIInChI=1S/C20H22N4OS/c1-14-5-4-6-16(11-14)12-18-19(25)22-20(26-18)23-21-13-15-7-9-17(10-8-15)24(2)3/h4-11,13,18H,12H2,1-3H3,(H,22,23,25)/b21-13+
InChIKeyCTYMNRVYFXAORD-FYJGNVAPSA-N
MW366.49 g/mol
LogP3.23
Rot. Bonds5

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

2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 137179848) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID137179848
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1cccc(CC2SC(=N/N=C/c3ccc(N(C)C)cc3)NC2=O)c1
InChIInChI=1S/C20H22N4OS/c1-14-5-4-6-16(11-14)12-18-19(25)22-20(26-18)23-21-13-15-7-9-17(10-8-15)24(2)3/h4-11,13,18H,12H2,1-3H3,(H,22,23,25)/b21-13+
InChIKeyCTYMNRVYFXAORD-FYJGNVAPSA-N
XLogP3.23
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
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

(2E,5S)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135763924
(2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135780040
(2E,5R)-5-[(3-methylphenyl)methyl]-2-[(Z)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780019
(2E,5R)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135763917
(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135645351
(2E)-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135845579
(2Z)-5-[(3-chlorophenyl)methyl]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473262
(2E)-5-[(3-methylphenyl)methyl]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135853813
5-[(3-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135456409
(2Z)-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135444134
(2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135478269
(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135726150

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 137179848) is 2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one is Cc1cccc(CC2SC(=N/N=C/c3ccc(N(C)C)cc3)NC2=O)c1.
What is the InChIKey of 2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is CTYMNRVYFXAORD-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-5-4-6-16(11-14)12-18-19(25)22-20(26-18)23-21-13-15-7-9-17(10-8-15)24(2)3/h4-11,13,18H,12H2,1-3H3,(H,22,23,25)/b21-13+.
What are the key properties of 2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one?
2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 366.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137179848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).