(5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one

C24H22N4OS — CID 137165829

IUPAC(5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C2\S/C(=N/c3ccc(Nc4ccccc4)cc3)NC2=O)cc1
InChIInChI=1S/C24H22N4OS/c1-28(2)21-14-8-17(9-15-21)16-22-23(29)27-24(30-22)26-20-12-10-19(11-13-20)25-18-6-4-3-5-7-18/h3-16,25H,1-2H3,(H,26,27,29)/b22-16-
InChIKeyVDGWTODSENKJFI-JWGURIENSA-N
MW414.53 g/mol
LogP5.39
Rot. Bonds5

About (5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 137165829) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is (5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID137165829
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC Name(5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C2\S/C(=N/c3ccc(Nc4ccccc4)cc3)NC2=O)cc1
InChIInChI=1S/C24H22N4OS/c1-28(2)21-14-8-17(9-15-21)16-22-23(29)27-24(30-22)26-20-12-10-19(11-13-20)25-18-6-4-3-5-7-18/h3-16,25H,1-2H3,(H,26,27,29)/b22-16-
InChIKeyVDGWTODSENKJFI-JWGURIENSA-N
XLogP5.39
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one
CID 137165844
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135403926
(5E)-2-(2-chlorophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135442979
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135617916
(5Z)-5-benzylidene-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one
CID 135766043
(5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135501423
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135841106
(5Z)-2-(3-chloro-4-methylphenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137064752
(5Z)-2-(3-bromophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137064982
5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135523277
(5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 137165846
(2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135736425

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 137165829) is (5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one is CN(C)c1ccc(/C=C2\S/C(=N/c3ccc(Nc4ccccc4)cc3)NC2=O)cc1.
What is the InChIKey of (5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is VDGWTODSENKJFI-JWGURIENSA-N. The full InChI is InChI=1S/C24H22N4OS/c1-28(2)21-14-8-17(9-15-21)16-22-23(29)27-24(30-22)26-20-12-10-19(11-13-20)25-18-6-4-3-5-7-18/h3-16,25H,1-2H3,(H,26,27,29)/b22-16-.
What are the key properties of (5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 414.53 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137165829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).