3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione

C12H10FNO3S — CID 62017287

IUPAC3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione
SMILESO=C(Cc1ccccc1F)CN1C(=O)CSC1=O
InChIInChI=1S/C12H10FNO3S/c13-10-4-2-1-3-8(10)5-9(15)6-14-11(16)7-18-12(14)17/h1-4H,5-7H2
InChIKeyZCOQXEFNDVMUGD-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.63
Rot. Bonds4

About 3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione

3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione (PubChem CID 62017287) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione
PubChem CID62017287
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Name3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione
SMILESO=C(Cc1ccccc1F)CN1C(=O)CSC1=O
InChIInChI=1S/C12H10FNO3S/c13-10-4-2-1-3-8(10)5-9(15)6-14-11(16)7-18-12(14)17/h1-4H,5-7H2
InChIKeyZCOQXEFNDVMUGD-UHFFFAOYSA-N
XLogP1.63
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Oxo-2-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 652953
2-(4-fluorophenyl)-N-(2-oxothiolan-3-yl)acetamide
CID 2916268
3-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]thiazolidine-2,4-dione
CID 76332502
2-(4-Fluorophenyl)-1-pyrrolidin-1-ylethanone
CID 798502
3-Phenacyl-2-thioxo-thiazolidin-4-one
CID 6539158
2-Phenyl-1-(2-thioxothiazolidin-3-yl)ethan-1-one
CID 772307
2,4-Thiazolidinedione, 5-((3-fluorophenyl)methylene)-3-(2-oxo-2-phenylethyl)-
CID 6448824
1-[2-(4-Fluorophenyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 736318
S-(2-phenylethyl) (2S)-1-(2-cyclopentyl-2-oxoacetyl)pyrrolidine-2-carbothioate
CID 9946940
S-[3-(2-fluorophenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate
CID 10135206
S-(3-phenylpropyl) (2S)-1-(2-cyclohexyl-2-oxoacetyl)pyrrolidine-2-carbothioate
CID 10200249
S-[3-(3-fluorophenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate
CID 10222198

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione (CID 62017287) is 3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione is O=C(Cc1ccccc1F)CN1C(=O)CSC1=O.
What is the InChIKey of 3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZCOQXEFNDVMUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c13-10-4-2-1-3-8(10)5-9(15)6-14-11(16)7-18-12(14)17/h1-4H,5-7H2.
What are the key properties of 3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione?
3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 267.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-2-oxopropyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 62017287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).