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

C15H20FNOS — CID 7215318

IUPAC1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCS[C@H]1c1cccc(F)c1
InChIInChI=1S/C15H20FNOS/c1-15(2,3)10-13(18)17-7-8-19-14(17)11-5-4-6-12(16)9-11/h4-6,9,14H,7-8,10H2,1-3H3/t14-/m0/s1
InChIKeyWBGTUMYZIQXVAX-AWEZNQCLSA-N
MW281.40 g/mol
LogP3.84
Rot. Bonds2

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

1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one (PubChem CID 7215318) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
PubChem CID7215318
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCS[C@H]1c1cccc(F)c1
InChIInChI=1S/C15H20FNOS/c1-15(2,3)10-13(18)17-7-8-19-14(17)11-5-4-6-12(16)9-11/h4-6,9,14H,7-8,10H2,1-3H3/t14-/m0/s1
InChIKeyWBGTUMYZIQXVAX-AWEZNQCLSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7236837
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7218707
1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 4533715
3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 122329235
[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7364549
[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
CID 7397609
(2S)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7415351
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 7413566
2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 99985600
2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7326995
1-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]octan-1-one
CID 4160928
(2R)-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7414393

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one (CID 7215318) is 1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCS[C@H]1c1cccc(F)c1.
What is the InChIKey of 1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one?
The InChIKey is WBGTUMYZIQXVAX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20FNOS/c1-15(2,3)10-13(18)17-7-8-19-14(17)11-5-4-6-12(16)9-11/h4-6,9,14H,7-8,10H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one?
1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one has a molecular weight of 281.40 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 7215318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).