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

C10H8FNO2S — CID 3157072

IUPAC3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1ccccc1F
InChIInChI=1S/C10H8FNO2S/c11-8-4-2-1-3-7(8)5-12-9(13)6-15-10(12)14/h1-4H,5-6H2
InChIKeyVJTWMNUDIIAJMS-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.02
Rot. Bonds2

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

3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 3157072) has the molecular formula C10H8FNO2S and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID3157072
Molecular FormulaC10H8FNO2S
Molecular Weight225.24 g/mol
Exact Mass225.03
IUPAC Name3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1ccccc1F
InChIInChI=1S/C10H8FNO2S/c11-8-4-2-1-3-7(8)5-12-9(13)6-15-10(12)14/h1-4H,5-6H2
InChIKeyVJTWMNUDIIAJMS-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.02
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

N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 22421974
3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 23125222
N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51195485
N'-(2,6-difluorophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108522144
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide
CID 63639887
methyl 2-amino-6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate
CID 104824888
3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157239
3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 43376184
5-[(2-fluorophenyl)methyl]-1,1-dioxo-2,3-dihydro-1λ6,5-benzothiazepin-4-one
CID 20890343
3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione
CID 79240657
6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione
CID 154846556
3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 63745600

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 3157072) is 3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is VJTWMNUDIIAJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2S/c11-8-4-2-1-3-7(8)5-12-9(13)6-15-10(12)14/h1-4H,5-6H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 225.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3157072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).