3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one

C11H9BrFNO2S — CID 101492425

IUPAC3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one
SMILESO=C1SCCN1C(=O)[C@H](F)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrFNO2S/c12-8-3-1-7(2-4-8)9(13)10(15)14-5-6-17-11(14)16/h1-4,9H,5-6H2/t9-/m1/s1
InChIKeyUINHQSZLFFQEHY-SECBINFHSA-N
MW318.17 g/mol
LogP3.16
Rot. Bonds2

About 3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one

3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one (PubChem CID 101492425) has the molecular formula C11H9BrFNO2S and a molecular weight of 318.17 g/mol. Its IUPAC name is 3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one
PubChem CID101492425
Molecular FormulaC11H9BrFNO2S
Molecular Weight318.17 g/mol
Exact Mass316.95
IUPAC Name3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one
SMILESO=C1SCCN1C(=O)[C@H](F)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrFNO2S/c12-8-3-1-7(2-4-8)9(13)10(15)14-5-6-17-11(14)16/h1-4,9H,5-6H2/t9-/m1/s1
InChIKeyUINHQSZLFFQEHY-SECBINFHSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone
CID 669928
2-(4-bromophenyl)-N-[(3S)-2-oxothiolan-3-yl]acetamide
CID 6935335
2-(4-bromophenyl)-N-(2-oxothiolan-3-yl)acetamide
CID 2905683
3-[2-(4-Bromophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 3810884
2-(4-bromophenyl)-N-[(2S)-1-(2,5-dihydropyrrol-1-yl)-4-methylsulfanylbutan-2-yl]-N-methylacetamide
CID 44313128
3-(4-Bromophenyl)-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine-2,5-dione
CID 75442892
3-Ethyl-5-(p-bromobenzoyl)rhodanine
CID 129786571
3-[(2R)-2-fluoro-2-phenylacetyl]-1,3-thiazolidin-2-one
CID 16752989
3-[2-(4-Fluorophenyl)acetyl]-1,3-thiazolidin-2-one
CID 16752990
3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one
CID 134963536
(2Z)-2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 2400865
3-(4-Bromobenzoyl)-1,3-thiazolidine-2-thione
CID 5251656

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one (CID 101492425) is 3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one is O=C1SCCN1C(=O)[C@H](F)c1ccc(Br)cc1.
What is the InChIKey of 3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one?
The InChIKey is UINHQSZLFFQEHY-SECBINFHSA-N. The full InChI is InChI=1S/C11H9BrFNO2S/c12-8-3-1-7(2-4-8)9(13)10(15)14-5-6-17-11(14)16/h1-4,9H,5-6H2/t9-/m1/s1.
What are the key properties of 3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one?
3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one has a molecular weight of 318.17 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 101492425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).