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

C11H7F3N2O2S — CID 136732570

IUPAC(5Z)-2-hydroxyimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NO)S/C1=C\c1ccccc1C(F)(F)F
InChIInChI=1S/C11H7F3N2O2S/c12-11(13,14)7-4-2-1-3-6(7)5-8-9(17)15-10(16-18)19-8/h1-5,18H,(H,15,16,17)/b8-5-
InChIKeyKFFTUJMVVGOZIO-YVMONPNESA-N
MW288.25 g/mol
LogP2.65
Rot. Bonds1

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

(5Z)-2-hydroxyimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 136732570) has the molecular formula C11H7F3N2O2S and a molecular weight of 288.25 g/mol. Its IUPAC name is (5Z)-2-hydroxyimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-hydroxyimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID136732570
Molecular FormulaC11H7F3N2O2S
Molecular Weight288.25 g/mol
Exact Mass288.02
IUPAC Name(5Z)-2-hydroxyimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NO)S/C1=C\c1ccccc1C(F)(F)F
InChIInChI=1S/C11H7F3N2O2S/c12-11(13,14)7-4-2-1-3-6(7)5-8-9(17)15-10(16-18)19-8/h1-5,18H,(H,15,16,17)/b8-5-
InChIKeyKFFTUJMVVGOZIO-YVMONPNESA-N
XLogP2.65
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(5Z)-4-oxo-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]butanoic acid
CID 135498939
(5E)-5-[(2-chlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 137223035
(5E)-5-[(2-fluorophenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 136772715
(5E)-5-[(2-methoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135736113
ethyl 6-oxo-2-[[4-oxo-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]-1H-pyrimidine-5-carboxylate
CID 135444482
5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 135432394
5-[(3,4-dihydroxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135486728
(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135841138
5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135491611
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135523358
5-(1,3-benzodioxol-5-ylmethylidene)-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135523433
(2Z,5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 172986927

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-hydroxyimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-hydroxyimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 136732570) is (5Z)-2-hydroxyimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-hydroxyimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-hydroxyimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is O=C1NC(=NO)S/C1=C\c1ccccc1C(F)(F)F.
What is the InChIKey of (5Z)-2-hydroxyimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is KFFTUJMVVGOZIO-YVMONPNESA-N. The full InChI is InChI=1S/C11H7F3N2O2S/c12-11(13,14)7-4-2-1-3-6(7)5-8-9(17)15-10(16-18)19-8/h1-5,18H,(H,15,16,17)/b8-5-.
What are the key properties of (5Z)-2-hydroxyimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-hydroxyimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 288.25 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-hydroxyimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136732570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).