3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one

C15H12FNO2S — CID 135056197

IUPAC3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one
SMILESO=C1SCCN1C(=O)[C@H](F)c1cccc2ccccc12
InChIInChI=1S/C15H12FNO2S/c16-13(14(18)17-8-9-20-15(17)19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2/t13-/m1/s1
InChIKeyNYYUCQQZRPROKB-CYBMUJFWSA-N
MW289.33 g/mol
LogP3.55
Rot. Bonds2

About 3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one

3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one (PubChem CID 135056197) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one
PubChem CID135056197
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC Name3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one
SMILESO=C1SCCN1C(=O)[C@H](F)c1cccc2ccccc12
InChIInChI=1S/C15H12FNO2S/c16-13(14(18)17-8-9-20-15(17)19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2/t13-/m1/s1
InChIKeyNYYUCQQZRPROKB-CYBMUJFWSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one (CID 135056197) is 3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one is O=C1SCCN1C(=O)[C@H](F)c1cccc2ccccc12.
What is the InChIKey of 3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one?
The InChIKey is NYYUCQQZRPROKB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H12FNO2S/c16-13(14(18)17-8-9-20-15(17)19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2/t13-/m1/s1.
What are the key properties of 3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one?
3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one has a molecular weight of 289.33 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-fluoro-2-naphthalen-1-ylacetyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 135056197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).