1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one

C18H18FNOS — CID 7236837

IUPAC1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCS[C@@H]1c1cccc(F)c1
InChIInChI=1S/C18H18FNOS/c19-16-8-4-7-15(13-16)18-20(11-12-22-18)17(21)10-9-14-5-2-1-3-6-14/h1-8,13,18H,9-12H2/t18-/m1/s1
InChIKeyBWQVEOIAKRGDLA-GOSISDBHSA-N
MW315.41 g/mol
LogP4.03
Rot. Bonds4

About 1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one

1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one (PubChem CID 7236837) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
PubChem CID7236837
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCS[C@@H]1c1cccc(F)c1
InChIInChI=1S/C18H18FNOS/c19-16-8-4-7-15(13-16)18-20(11-12-22-18)17(21)10-9-14-5-2-1-3-6-14/h1-8,13,18H,9-12H2/t18-/m1/s1
InChIKeyBWQVEOIAKRGDLA-GOSISDBHSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one
CID 815330
1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 7215318
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7218707
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 4601348
1-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylpropan-1-one
CID 4104891
1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7397516
1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 42781088
3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330600
[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
CID 7397609
2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 7288367
[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7364549
(2S)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7415351

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one (CID 7236837) is 1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCS[C@@H]1c1cccc(F)c1.
What is the InChIKey of 1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
The InChIKey is BWQVEOIAKRGDLA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18FNOS/c19-16-8-4-7-15(13-16)18-20(11-12-22-18)17(21)10-9-14-5-2-1-3-6-14/h1-8,13,18H,9-12H2/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one has a molecular weight of 315.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 7236837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).