(5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

C19H15FN2OS — CID 135426075

IUPAC(5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCC(=C\c1ccccc1)/C=C1/S/C(=N/c2ccc(F)cc2)NC1=O
InChIInChI=1S/C19H15FN2OS/c1-13(11-14-5-3-2-4-6-14)12-17-18(23)22-19(24-17)21-16-9-7-15(20)8-10-16/h2-12H,1H3,(H,21,22,23)/b13-11+,17-12+
InChIKeyDIJXSWMUSVTELN-QKIOLIMFSA-N
MW338.41 g/mol
LogP4.66
Rot. Bonds3

About (5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

(5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 135426075) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is (5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID135426075
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name(5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCC(=C\c1ccccc1)/C=C1/S/C(=N/c2ccc(F)cc2)NC1=O
InChIInChI=1S/C19H15FN2OS/c1-13(11-14-5-3-2-4-6-14)12-17-18(23)22-19(24-17)21-16-9-7-15(20)8-10-16/h2-12H,1H3,(H,21,22,23)/b13-11+,17-12+
InChIKeyDIJXSWMUSVTELN-QKIOLIMFSA-N
XLogP4.66
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-Thiazolidinone, 5-benzylidene-2-phenylimino-
CID 135411779
2-p-Tolylamino-thiazol-4-one
CID 135411781
2-m-Tolylamino-thiazol-4-one
CID 135415496
5-Methyl-5-(propan-2-yl)-2-{[2-(trifluoromethyl)phenyl]amino}-4,5-dihydro-1,3-thiazol-4-one
CID 135678109
2-o-Tolylamino-thiazol-4-one
CID 135415405
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
2-[(2-fluorobenzyl)thio]-6-phenyl-4(3H)-pyrimidinone
CID 135403416
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637
(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6123445
5-[4-(Dimethylamino)benzylidene]-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 135403926
5-[[4-(Dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135498174
(2E,5Z)-5-(4-fluorobenzylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135518519

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 135426075) is (5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is CC(=C\c1ccccc1)/C=C1/S/C(=N/c2ccc(F)cc2)NC1=O.
What is the InChIKey of (5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is DIJXSWMUSVTELN-QKIOLIMFSA-N. The full InChI is InChI=1S/C19H15FN2OS/c1-13(11-14-5-3-2-4-6-14)12-17-18(23)22-19(24-17)21-16-9-7-15(20)8-10-16/h2-12H,1H3,(H,21,22,23)/b13-11+,17-12+.
What are the key properties of (5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 338.41 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-fluorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135426075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).