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

C19H18F3NO2S — CID 7288367

IUPAC2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(COCc1ccccc1)N1CCS[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO2S/c20-19(21,22)16-8-4-7-15(11-16)18-23(9-10-26-18)17(24)13-25-12-14-5-2-1-3-6-14/h1-8,11,18H,9-10,12-13H2/t18-/m0/s1
InChIKeyWIUUAFQVYCIJDM-SFHVURJKSA-N
MW381.42 g/mol
LogP4.50
Rot. Bonds5

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

2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone (PubChem CID 7288367) has the molecular formula C19H18F3NO2S and a molecular weight of 381.42 g/mol. Its IUPAC name is 2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
PubChem CID7288367
Molecular FormulaC19H18F3NO2S
Molecular Weight381.42 g/mol
Exact Mass381.10
IUPAC Name2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(COCc1ccccc1)N1CCS[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO2S/c20-19(21,22)16-8-4-7-15(11-16)18-23(9-10-26-18)17(24)13-25-12-14-5-2-1-3-6-14/h1-8,11,18H,9-10,12-13H2/t18-/m0/s1
InChIKeyWIUUAFQVYCIJDM-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

1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone
CID 42781042
1-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]octan-1-one
CID 4160928
cyclopropyl-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7364657
[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7398446
(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5079470
2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 3627515
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7236837
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4284700
(4-tert-butylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5086783
(2R)-N-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7238468
(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7249265
(3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 4080267

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone (CID 7288367) is 2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone is O=C(COCc1ccccc1)N1CCS[C@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is WIUUAFQVYCIJDM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18F3NO2S/c20-19(21,22)16-8-4-7-15(11-16)18-23(9-10-26-18)17(24)13-25-12-14-5-2-1-3-6-14/h1-8,11,18H,9-10,12-13H2/t18-/m0/s1.
What are the key properties of 2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone?
2-phenylmethoxy-1-[(2S)-2-[3-(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-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 7288367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).