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

C19H18N4OS — CID 135736425

IUPAC(2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C=N/N=C2\NC(=O)C(=Cc3ccccc3)S2)cc1
InChIInChI=1S/C19H18N4OS/c1-23(2)16-10-8-15(9-11-16)13-20-22-19-21-18(24)17(25-19)12-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,22,24)
InChIKeyIIZMEMFAASGJSA-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.35
Rot. Bonds4

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

(2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135736425) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is (2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135736425
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name(2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C=N/N=C2\NC(=O)C(=Cc3ccccc3)S2)cc1
InChIInChI=1S/C19H18N4OS/c1-23(2)16-10-8-15(9-11-16)13-20-22-19-21-18(24)17(25-19)12-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,22,24)
InChIKeyIIZMEMFAASGJSA-UHFFFAOYSA-N
XLogP3.35
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137231536
(2E,5E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135824781
(2Z,5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136878217
2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135531998
(2E,5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 135648181
methyl (2Z)-2-[2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 136792498
(5E)-5-benzylidene-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137206991
N-[5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 135447997
(2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135505964
methyl (2E)-2-[(2Z)-2-[[4-(N-methylanilino)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 172924783
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135841106
5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135523277

Frequently Asked Questions

What is the IUPAC name of (2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135736425) is (2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CN(C)c1ccc(C=N/N=C2\NC(=O)C(=Cc3ccccc3)S2)cc1.
What is the InChIKey of (2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is IIZMEMFAASGJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-23(2)16-10-8-15(9-11-16)13-20-22-19-21-18(24)17(25-19)12-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,22,24).
What are the key properties of (2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 350.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135736425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).