(5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

C23H25N3OS — CID 20836362

IUPAC(5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCCN(CC)CN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1
InChIInChI=1S/C23H25N3OS/c1-3-25(4-2)18-26-22(27)21(17-11-14-19-12-7-5-8-13-19)28-23(26)24-20-15-9-6-10-16-20/h5-17H,3-4,18H2,1-2H3/b14-11+,21-17+,24-23-
InChIKeyGZQPXGLXBBLWSW-WGUQSXEISA-N
MW391.54 g/mol
LogP5.15
Rot. Bonds7

About (5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

(5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 20836362) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is (5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID20836362
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name(5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCCN(CC)CN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1
InChIInChI=1S/C23H25N3OS/c1-3-25(4-2)18-26-22(27)21(17-11-14-19-12-7-5-8-13-19)28-23(26)24-20-15-9-6-10-16-20/h5-17H,3-4,18H2,1-2H3/b14-11+,21-17+,24-23-
InChIKeyGZQPXGLXBBLWSW-WGUQSXEISA-N
XLogP5.15
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 6366658
(5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 1231522
(5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 6392227
(5Z)-3-(1H-benzimidazol-2-ylmethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 54612721
4-[[5-[3-[4-(dimethylamino)phenyl]prop-2-enylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid
CID 3948441
(2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 18844864
3-ethyl-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1350634
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 6367517
(5Z)-3-butyl-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2188149
(5Z)-5-benzylidene-3-hexadecyl-2-phenylimino-1,3-thiazolidin-4-one
CID 6283091
2-[(5Z)-2,4-dioxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-3-yl]acetic acid
CID 1335217
5-benzylidene-3-(diethylaminomethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 171132197

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 20836362) is (5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is CCN(CC)CN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1.
What is the InChIKey of (5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is GZQPXGLXBBLWSW-WGUQSXEISA-N. The full InChI is InChI=1S/C23H25N3OS/c1-3-25(4-2)18-26-22(27)21(17-11-14-19-12-7-5-8-13-19)28-23(26)24-20-15-9-6-10-16-20/h5-17H,3-4,18H2,1-2H3/b14-11+,21-17+,24-23-.
What are the key properties of (5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 391.54 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 20836362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).