2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone

C19H18F3NO2S — CID 1024081

IUPAC2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(COCc1ccccc1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO2S/c20-19(21,22)16-8-6-15(7-9-16)18-23(10-11-26-18)17(24)13-25-12-14-4-2-1-3-5-14/h1-9,18H,10-13H2/t18-/m0/s1
InChIKeyBUQLAYJPUWKSIV-SFHVURJKSA-N
MW381.42 g/mol
LogP4.50
Rot. Bonds5

About 2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone

2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone (PubChem CID 1024081) has the molecular formula C19H18F3NO2S and a molecular weight of 381.42 g/mol. Its IUPAC name is 2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
PubChem CID1024081
Molecular FormulaC19H18F3NO2S
Molecular Weight381.42 g/mol
Exact Mass381.10
IUPAC Name2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(COCc1ccccc1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO2S/c20-19(21,22)16-8-6-15(7-9-16)18-23(10-11-26-18)17(24)13-25-12-14-4-2-1-3-5-14/h1-9,18H,10-13H2/t18-/m0/s1
InChIKeyBUQLAYJPUWKSIV-SFHVURJKSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

COX inhibitor, 5a
CID 12444099
1-[2-(4-Methylphenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 44418202
2-Phenylmethoxy-1-[4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 4349788
3-(2-Hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 46137645
3-Methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one
CID 11012663
2-(Phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3714690
3-[(3,4-Difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one
CID 5016060
2-phenylmethoxy-1-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 1024083
2-phenoxy-1-[(2R)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 1024706
2-[3-Fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one
CID 3287283
1-[2-(4-Fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 3290034
Benzyl 2-[[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3387427

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone (CID 1024081) is 2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone is O=C(COCc1ccccc1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is BUQLAYJPUWKSIV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18F3NO2S/c20-19(21,22)16-8-6-15(7-9-16)18-23(10-11-26-18)17(24)13-25-12-14-4-2-1-3-5-14/h1-9,18H,10-13H2/t18-/m0/s1.
What are the key properties of 2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone?
2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 381.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 1024081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).