1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone

C17H16FNO2S — CID 7482427

IUPAC1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C17H16FNO2S/c18-15-9-5-4-8-14(15)17-19(10-11-22-17)16(20)12-21-13-6-2-1-3-7-13/h1-9,17H,10-12H2/t17-/m0/s1
InChIKeyIXSDJJLLKFDZPP-KRWDZBQOSA-N
MW317.38 g/mol
LogP3.48
Rot. Bonds4

About 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone

1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone (PubChem CID 7482427) has the molecular formula C17H16FNO2S and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
PubChem CID7482427
Molecular FormulaC17H16FNO2S
Molecular Weight317.38 g/mol
Exact Mass317.09
IUPAC Name1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C17H16FNO2S/c18-15-9-5-4-8-14(15)17-19(10-11-22-17)16(20)12-21-13-6-2-1-3-7-13/h1-9,17H,10-12H2/t17-/m0/s1
InChIKeyIXSDJJLLKFDZPP-KRWDZBQOSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 5077564
1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 41099119
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 41048112
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-(3-methyl-4-nitrophenoxy)ethanone
CID 9380988
2-phenoxy-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone
CID 42781009
3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 7283438
2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4533874
1-[(2R)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 1024512
[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate
CID 9477480
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 9248015
[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate
CID 30824072
(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 5068001

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone (CID 7482427) is 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCS[C@H]1c1ccccc1F.
What is the InChIKey of 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
The InChIKey is IXSDJJLLKFDZPP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16FNO2S/c18-15-9-5-4-8-14(15)17-19(10-11-22-17)16(20)12-21-13-6-2-1-3-7-13/h1-9,17H,10-12H2/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone has a molecular weight of 317.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone is sourced from PubChem (CID 7482427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).