1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone

C11H11F2NOS — CID 7418795

IUPAC1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CCS[C@H]1c1ccc(F)cc1F
InChIInChI=1S/C11H11F2NOS/c1-7(15)14-4-5-16-11(14)9-3-2-8(12)6-10(9)13/h2-3,6,11H,4-5H2,1H3/t11-/m0/s1
InChIKeyYAHIMZMUZQWUHR-NSHDSACASA-N
MW243.28 g/mol
LogP2.56
Rot. Bonds1

About 1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone

1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 7418795) has the molecular formula C11H11F2NOS and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID7418795
Molecular FormulaC11H11F2NOS
Molecular Weight243.28 g/mol
Exact Mass243.05
IUPAC Name1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CCS[C@H]1c1ccc(F)cc1F
InChIInChI=1S/C11H11F2NOS/c1-7(15)14-4-5-16-11(14)9-3-2-8(12)6-10(9)13/h2-3,6,11H,4-5H2,1H3/t11-/m0/s1
InChIKeyYAHIMZMUZQWUHR-NSHDSACASA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
CID 3444279
[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 4246927
[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7418809
(2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 7297133
(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 93114948
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone
CID 122331063
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
(2S)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7415351
[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone
CID 4526194
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4076126
1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone
CID 42781148
(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7349968

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone (CID 7418795) is 1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1CCS[C@H]1c1ccc(F)cc1F.
What is the InChIKey of 1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is YAHIMZMUZQWUHR-NSHDSACASA-N. The full InChI is InChI=1S/C11H11F2NOS/c1-7(15)14-4-5-16-11(14)9-3-2-8(12)6-10(9)13/h2-3,6,11H,4-5H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 243.28 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 7418795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).