(5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one

C19H14ClF3N2OS — CID 135603029

IUPAC(5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1
InChIInChI=1S/C19H14ClF3N2OS/c1-2-11-3-5-12(6-4-11)9-16-17(26)25-18(27-16)24-15-8-7-13(20)10-14(15)19(21,22)23/h3-10H,2H2,1H3,(H,24,25,26)/b16-9-
InChIKeyOFUBWBZKCQPOMW-SXGWCWSVSA-N
MW410.85 g/mol
LogP5.81
Rot. Bonds3

About (5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135603029) has the molecular formula C19H14ClF3N2OS and a molecular weight of 410.85 g/mol. Its IUPAC name is (5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135603029
Molecular FormulaC19H14ClF3N2OS
Molecular Weight410.85 g/mol
Exact Mass410.05
IUPAC Name(5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1
InChIInChI=1S/C19H14ClF3N2OS/c1-2-11-3-5-12(6-4-11)9-16-17(26)25-18(27-16)24-15-8-7-13(20)10-14(15)19(21,22)23/h3-10H,2H2,1H3,(H,24,25,26)/b16-9-
InChIKeyOFUBWBZKCQPOMW-SXGWCWSVSA-N
XLogP5.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 55.81
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'}

Analyze (5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

methyl 4-[(Z)-[2-[4-chloro-2-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135844592
2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-octoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135527661
(5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135444344
2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135500697
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135844247
2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135523308
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135844303
(5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135421075
(5Z)-2-(2,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490686
(5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135563218
3-[[5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-methylbenzoic acid
CID 135483260
(5Z)-2-(4-chloro-2-methylphenyl)imino-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137162399

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135603029) is (5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one is CCc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1.
What is the InChIKey of (5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is OFUBWBZKCQPOMW-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H14ClF3N2OS/c1-2-11-3-5-12(6-4-11)9-16-17(26)25-18(27-16)24-15-8-7-13(20)10-14(15)19(21,22)23/h3-10H,2H2,1H3,(H,24,25,26)/b16-9-.
What are the key properties of (5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 410.85 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135603029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).