(5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione

C23H19F3N2O4S — CID 46074015

IUPAC(5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C(c1ccc(/C=C2\SC(=O)N(Cc3ccccc3C(F)(F)F)C2=O)cc1)N1CCOCC1
InChIInChI=1S/C23H19F3N2O4S/c24-23(25,26)18-4-2-1-3-17(18)14-28-21(30)19(33-22(28)31)13-15-5-7-16(8-6-15)20(29)27-9-11-32-12-10-27/h1-8,13H,9-12,14H2/b19-13-
InChIKeyJDRFXANMMNHNBA-UYRXBGFRSA-N
MW476.48 g/mol
LogP4.41
Rot. Bonds4

About (5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 46074015) has the molecular formula C23H19F3N2O4S and a molecular weight of 476.48 g/mol. Its IUPAC name is (5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID46074015
Molecular FormulaC23H19F3N2O4S
Molecular Weight476.48 g/mol
Exact Mass476.10
IUPAC Name(5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C(c1ccc(/C=C2\SC(=O)N(Cc3ccccc3C(F)(F)F)C2=O)cc1)N1CCOCC1
InChIInChI=1S/C23H19F3N2O4S/c24-23(25,26)18-4-2-1-3-17(18)14-28-21(30)19(33-22(28)31)13-15-5-7-16(8-6-15)20(29)27-9-11-32-12-10-27/h1-8,13H,9-12,14H2/b19-13-
InChIKeyJDRFXANMMNHNBA-UYRXBGFRSA-N
XLogP4.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(3,5-dibromophenyl)methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 51347297
4-[(E)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 1232215
3-benzyl-5-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 71957482
5-[[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]methylidene]-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 171136421
3-[(3-fluorophenyl)methyl]-5-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 71958204
3-benzyl-5-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 71955988
(5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 42871396
5-[(4-morpholin-4-ylphenyl)methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
CID 2930007
(5E)-3-[(4-fluorophenyl)methyl]-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124663893
(5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 162610715
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124664144
3-[(2-fluorophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 73462941

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 46074015) is (5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C(c1ccc(/C=C2\SC(=O)N(Cc3ccccc3C(F)(F)F)C2=O)cc1)N1CCOCC1.
What is the InChIKey of (5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is JDRFXANMMNHNBA-UYRXBGFRSA-N. The full InChI is InChI=1S/C23H19F3N2O4S/c24-23(25,26)18-4-2-1-3-17(18)14-28-21(30)19(33-22(28)31)13-15-5-7-16(8-6-15)20(29)27-9-11-32-12-10-27/h1-8,13H,9-12,14H2/b19-13-.
What are the key properties of (5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 476.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46074015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).