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

C17H10F4N2OS — CID 16633567

IUPAC(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H10F4N2OS/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-
InChIKeyAIEHHSAMRZLIIM-HAZVAZDDSA-N
MW366.34 g/mol
LogP4.90
Rot. Bonds2

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

(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 16633567) has the molecular formula C17H10F4N2OS and a molecular weight of 366.34 g/mol. Its IUPAC name is (5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID16633567
Molecular FormulaC17H10F4N2OS
Molecular Weight366.34 g/mol
Exact Mass366.04
IUPAC Name(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H10F4N2OS/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-
InChIKeyAIEHHSAMRZLIIM-HAZVAZDDSA-N
XLogP4.90
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.90
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-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633566
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633589
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633561
(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633587
N-(4-fluorophenyl)-2-[2-[(Z)-[2-imino-4-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 16633591
2-[4-bromo-2-[(Z)-[2-imino-4-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 16633601
5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 3446623
4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 16633486
(5E)-5-[(4-chlorophenyl)methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6342893
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 6513598
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16627109
5-[(4-fluorophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1230094

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 16633567) is (5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1C(F)(F)F.
What is the InChIKey of (5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is AIEHHSAMRZLIIM-HAZVAZDDSA-N. The full InChI is InChI=1S/C17H10F4N2OS/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-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 366.34 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).