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

C17H10ClF3N2OS — CID 16633566

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H10ClF3N2OS/c18-11-7-5-10(6-8-11)9-14-15(24)23(16(22)25-14)13-4-2-1-3-12(13)17(19,20)21/h1-9,22H/b14-9-,22-16-
InChIKeyRPFYWDORWQYPOD-HAZVAZDDSA-N
MW382.79 g/mol
LogP5.41
Rot. Bonds2

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

(5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 16633566) has the molecular formula C17H10ClF3N2OS and a molecular weight of 382.79 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID16633566
Molecular FormulaC17H10ClF3N2OS
Molecular Weight382.79 g/mol
Exact Mass382.02
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H10ClF3N2OS/c18-11-7-5-10(6-8-11)9-14-15(24)23(16(22)25-14)13-4-2-1-3-12(13)17(19,20)21/h1-9,22H/b14-9-,22-16-
InChIKeyRPFYWDORWQYPOD-HAZVAZDDSA-N
XLogP5.41
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.79
LogP ≤ 55.41
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

(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633567
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633589
(5E)-5-[(4-chlorophenyl)methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6342893
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633561
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16627109
(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633587
4-[(5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 18824600
2-[4-bromo-2-[(Z)-[2-imino-4-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 16633599
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 6513598
(5Z)-5-benzylidene-3-(3,4-dichlorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16633608
(5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16633317
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one
CID 2004199

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 16633566) is (5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccccc1C(F)(F)F.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is RPFYWDORWQYPOD-HAZVAZDDSA-N. The full InChI is InChI=1S/C17H10ClF3N2OS/c18-11-7-5-10(6-8-11)9-14-15(24)23(16(22)25-14)13-4-2-1-3-12(13)17(19,20)21/h1-9,22H/b14-9-,22-16-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 382.79 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).