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

C17H10F4N2OS — CID 16633539

IUPAC(5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccccc2F)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10F4N2OS/c18-13-7-2-1-4-10(13)8-14-15(24)23(16(22)25-14)12-6-3-5-11(9-12)17(19,20)21/h1-9,22H/b14-8-,22-16-
InChIKeyVDDSTNNFNMDWGM-OLXHJFTGSA-N
MW366.34 g/mol
LogP4.90
Rot. Bonds2

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

(5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 16633539) has the molecular formula C17H10F4N2OS and a molecular weight of 366.34 g/mol. Its IUPAC name is (5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID16633539
Molecular FormulaC17H10F4N2OS
Molecular Weight366.34 g/mol
Exact Mass366.04
IUPAC Name(5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccccc2F)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10F4N2OS/c18-13-7-2-1-4-10(13)8-14-15(24)23(16(22)25-14)12-6-3-5-11(9-12)17(19,20)21/h1-9,22H/b14-8-,22-16-
InChIKeyVDDSTNNFNMDWGM-OLXHJFTGSA-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-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6123445
(5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 12004521
5-[4-(Dimethylamino)benzylidene]-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-one
CID 135761054
(5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 1267283
(5Z)-5-(2-fluorobenzylidene)-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 12004520
5-(2-Fluoro-benzylidene)-3-(2-fluoro-phenyl)-2-imino-thiazolidin-4-one
CID 1227083
(2Z)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
CID 134815437
(5Z)-3-(3-fluorophenyl)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-4-one
CID 1250914
(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 1361021
(5Z)-5-(4-fluorobenzylidene)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1606487
(5Z)-5-[(2-fluorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2251958
(Z)-5-(3-fluorobenzylidene)-3-phenylthiazolidine-2,4-dione
CID 6505379

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 16633539) is (5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccccc2F)C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is VDDSTNNFNMDWGM-OLXHJFTGSA-N. The full InChI is InChI=1S/C17H10F4N2OS/c18-13-7-2-1-4-10(13)8-14-15(24)23(16(22)25-14)12-6-3-5-11(9-12)17(19,20)21/h1-9,22H/b14-8-,22-16-.
What are the key properties of (5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
(5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(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-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).