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

C19H15F3N2O3S — CID 135491611

IUPAC5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(C=C2S/C(=N/c3ccccc3C(F)(F)F)NC2=O)c1
InChIInChI=1S/C19H15F3N2O3S/c1-26-12-7-8-15(27-2)11(9-12)10-16-17(25)24-18(28-16)23-14-6-4-3-5-13(14)19(20,21)22/h3-10H,1-2H3,(H,23,24,25)
InChIKeyUSNIRJKTUJYVRC-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.61
Rot. Bonds4

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

5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 135491611) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID135491611
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(C=C2S/C(=N/c3ccccc3C(F)(F)F)NC2=O)c1
InChIInChI=1S/C19H15F3N2O3S/c1-26-12-7-8-15(27-2)11(9-12)10-16-17(25)24-18(28-16)23-14-6-4-3-5-13(14)19(20,21)22/h3-10H,1-2H3,(H,23,24,25)
InChIKeyUSNIRJKTUJYVRC-UHFFFAOYSA-N
XLogP4.61
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(5E)-5-[(2-methoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135736113
5-[(2,5-dimethoxyphenyl)methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135482901
2-(2,4-dimethoxyphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135482900
2-[[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135522742
(5Z)-2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135518542
2-(3-chloro-2-methylphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135485216
(5Z)-2-(5-chloro-2-methoxyphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137118739
(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135627839
(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-(2,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135421039
(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135489761
(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135535365
(5Z)-2-(2,4-dichlorophenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135535360

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 135491611) is 5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is COc1ccc(OC)c(C=C2S/C(=N/c3ccccc3C(F)(F)F)NC2=O)c1.
What is the InChIKey of 5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is USNIRJKTUJYVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-26-12-7-8-15(27-2)11(9-12)10-16-17(25)24-18(28-16)23-14-6-4-3-5-13(14)19(20,21)22/h3-10H,1-2H3,(H,23,24,25).
What are the key properties of 5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 408.40 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135491611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).