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

C18H12F3NO2S2 — CID 118069681

IUPAC(5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\SC(=S)NC2=O)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F3NO2S2/c1-24-14-6-5-10(8-15-16(23)22-17(25)26-15)7-13(14)11-3-2-4-12(9-11)18(19,20)21/h2-9H,1H3,(H,22,23,25)/b15-8-
InChIKeyZZROOGUJLHHXPY-NVNXTCNLSA-N
MW395.43 g/mol
LogP4.87
Rot. Bonds3

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

(5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 118069681) has the molecular formula C18H12F3NO2S2 and a molecular weight of 395.43 g/mol. Its IUPAC name is (5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID118069681
Molecular FormulaC18H12F3NO2S2
Molecular Weight395.43 g/mol
Exact Mass395.03
IUPAC Name(5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\SC(=S)NC2=O)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F3NO2S2/c1-24-14-6-5-10(8-15-16(23)22-17(25)26-15)7-13(14)11-3-2-4-12(9-11)18(19,20)21/h2-9H,1H3,(H,22,23,25)/b15-8-
InChIKeyZZROOGUJLHHXPY-NVNXTCNLSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(5Z)-5-[[4-methoxy-3-[6-methyl-4-oxo-2-(trifluoromethyl)-1H-quinolin-7-yl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58643396
5-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2850311
(5Z)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1368101
5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4580566
4-[2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-3-(trifluoromethyl)benzonitrile
CID 86623142
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135490696
5-[[3-methoxy-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5036953
[2-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] propanoate
CID 1307394
(5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58642543
2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 2796872
(5Z)-5-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118069686
(5Z)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2199552

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 118069681) is (5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc(/C=C2\SC(=S)NC2=O)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of (5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is ZZROOGUJLHHXPY-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H12F3NO2S2/c1-24-14-6-5-10(8-15-16(23)22-17(25)26-15)7-13(14)11-3-2-4-12(9-11)18(19,20)21/h2-9H,1H3,(H,22,23,25)/b15-8-.
What are the key properties of (5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 395.43 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 118069681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).