(5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one

C20H19N3OS — CID 135501423

IUPAC(5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1
InChIInChI=1S/C20H19N3OS/c1-23(2)17-13-11-15(12-14-17)7-6-10-18-19(24)22-20(25-18)21-16-8-4-3-5-9-16/h3-14H,1-2H3,(H,21,22,24)/b7-6+,18-10+
InChIKeyNQPVIZHYBQUQHM-ZOQHSEBNSA-N
MW349.46 g/mol
LogP4.20
Rot. Bonds4

About (5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135501423) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is (5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135501423
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name(5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1
InChIInChI=1S/C20H19N3OS/c1-23(2)17-13-11-15(12-14-17)7-6-10-18-19(24)22-20(25-18)21-16-8-4-3-5-9-16/h3-14H,1-2H3,(H,21,22,24)/b7-6+,18-10+
InChIKeyNQPVIZHYBQUQHM-ZOQHSEBNSA-N
XLogP4.20
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 135642608
(5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137165829
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135403926
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135617916
(5Z)-2-(3-bromophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137064982
2-hydroxy-5-[[(5Z)-4-oxo-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 137166110
5-[[4-(dimethylamino)phenyl]methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135523281
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135841106
(5E)-2-(2-chlorophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135442979
5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135523277
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492
5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135452040

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 135501423) is (5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one is CN(C)c1ccc(/C=C/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1.
What is the InChIKey of (5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is NQPVIZHYBQUQHM-ZOQHSEBNSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-23(2)17-13-11-15(12-14-17)7-6-10-18-19(24)22-20(25-18)21-16-8-4-3-5-9-16/h3-14H,1-2H3,(H,21,22,24)/b7-6+,18-10+.
What are the key properties of (5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 349.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135501423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).