(5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one

C23H19F3N2O3S2 — CID 162610715

IUPAC(5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C(c1cccc(/C=C2\SC(=S)N(Cc3ccc(C(F)(F)F)cc3)C2=O)c1)N1CCOCC1
InChIInChI=1S/C23H19F3N2O3S2/c24-23(25,26)18-6-4-15(5-7-18)14-28-21(30)19(33-22(28)32)13-16-2-1-3-17(12-16)20(29)27-8-10-31-11-9-27/h1-7,12-13H,8-11,14H2/b19-13-
InChIKeyQRCWWPQQKAXKMI-UYRXBGFRSA-N
MW492.54 g/mol
LogP4.58
Rot. Bonds4

About (5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one

(5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 162610715) has the molecular formula C23H19F3N2O3S2 and a molecular weight of 492.54 g/mol. Its IUPAC name is (5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID162610715
Molecular FormulaC23H19F3N2O3S2
Molecular Weight492.54 g/mol
Exact Mass492.08
IUPAC Name(5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C(c1cccc(/C=C2\SC(=S)N(Cc3ccc(C(F)(F)F)cc3)C2=O)c1)N1CCOCC1
InChIInChI=1S/C23H19F3N2O3S2/c24-23(25,26)18-6-4-15(5-7-18)14-28-21(30)19(33-22(28)32)13-16-2-1-3-17(12-16)20(29)27-8-10-31-11-9-27/h1-7,12-13H,8-11,14H2/b19-13-
InChIKeyQRCWWPQQKAXKMI-UYRXBGFRSA-N
XLogP4.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[3-[(Z)-[2,4-dioxo-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-5-ylidene]methyl]benzoyl]piperidine-4-carboxylate
CID 46074019
3-benzyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 1361730
(5Z)-5-[[4-(piperazine-1-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 162610654
4-[(Z)-[4-oxo-2-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-5-ylidene]methyl]benzamide
CID 162610711
3-benzyl-5-[[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 75140376
(5Z)-5-[[3-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 46074187
2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-morpholin-4-ylacetamide
CID 1371302
(5E)-5-[(3-methoxyphenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1367866
5-[[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]methylidene]-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 171136421
5-[[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 75140355
4-[(Z)-[3-[[3-(1,1-difluoroethyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 174283042
3-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 76728295

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 162610715) is (5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is O=C(c1cccc(/C=C2\SC(=S)N(Cc3ccc(C(F)(F)F)cc3)C2=O)c1)N1CCOCC1.
What is the InChIKey of (5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is QRCWWPQQKAXKMI-UYRXBGFRSA-N. The full InChI is InChI=1S/C23H19F3N2O3S2/c24-23(25,26)18-6-4-15(5-7-18)14-28-21(30)19(33-22(28)32)13-16-2-1-3-17(12-16)20(29)27-8-10-31-11-9-27/h1-7,12-13H,8-11,14H2/b19-13-.
What are the key properties of (5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
(5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 492.54 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-(morpholine-4-carbonyl)phenyl]methylidene]-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 162610715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).