2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one

C15H15F7N2O2S2 — CID 152904092

IUPAC2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESCc1cc(F)c(NCC2SCC(=O)N2CC(F)(F)F)cc1S(=O)CC(F)(F)F
InChIInChI=1S/C15H15F7N2O2S2/c1-8-2-9(16)10(3-11(8)28(26)7-15(20,21)22)23-4-13-24(6-14(17,18)19)12(25)5-27-13/h2-3,13,23H,4-7H2,1H3
InChIKeyUFWYANJYSGAAPO-UHFFFAOYSA-N
MW452.42 g/mol
LogP3.68
Rot. Bonds6

About 2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one

2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (PubChem CID 152904092) has the molecular formula C15H15F7N2O2S2 and a molecular weight of 452.42 g/mol. Its IUPAC name is 2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
PubChem CID152904092
Molecular FormulaC15H15F7N2O2S2
Molecular Weight452.42 g/mol
Exact Mass452.05
IUPAC Name2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESCc1cc(F)c(NCC2SCC(=O)N2CC(F)(F)F)cc1S(=O)CC(F)(F)F
InChIInChI=1S/C15H15F7N2O2S2/c1-8-2-9(16)10(3-11(8)28(26)7-15(20,21)22)23-4-13-24(6-14(17,18)19)12(25)5-27-13/h2-3,13,23H,4-7H2,1H3
InChIKeyUFWYANJYSGAAPO-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

2,2-difluoro-N-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-N'-methylethanimidamide
CID 134569805
2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imino-3-(2-fluoropropyl)-1,3-thiazolidin-4-one
CID 161004945
1-(2,2-difluoropropylsulfinyl)-4-fluoro-2,5-dimethylbenzene
CID 134569643
2-[2-fluoro-4-methyl-5-[(R)-2,2,2-trifluoroethylsulfinyl]phenyl]-3H-isoindol-1-one
CID 178073603
1-[2-fluoro-4-methyl-5-[(S)-2,2,2-trifluoroethylsulfinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazole
CID 88989974
3-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-5-(morpholine-4-carbonyl)imidazolidine-2,4-dione
CID 121396458
2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 3594995
3-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-6-methylquinazolin-4-one
CID 71510619
1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine
CID 151810783
N'-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-6-methylpyridine-3-carboximidamide
CID 134569588
methyl 4-[4-oxo-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-yl]benzoate
CID 3317359
N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline
CID 103584848

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (CID 152904092) is 2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is Cc1cc(F)c(NCC2SCC(=O)N2CC(F)(F)F)cc1S(=O)CC(F)(F)F.
What is the InChIKey of 2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The InChIKey is UFWYANJYSGAAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F7N2O2S2/c1-8-2-9(16)10(3-11(8)28(26)7-15(20,21)22)23-4-13-24(6-14(17,18)19)12(25)5-27-13/h2-3,13,23H,4-7H2,1H3.
What are the key properties of 2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one has a molecular weight of 452.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)anilino]methyl]-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 152904092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).