1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone

C11H12FNOS — CID 19905270

IUPAC1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone
SMILESO=C(CN1CCSC1)c1ccc(F)cc1
InChIInChI=1S/C11H12FNOS/c12-10-3-1-9(2-4-10)11(14)7-13-5-6-15-8-13/h1-4H,5-8H2
InChIKeyNQROALSJPYKBBF-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.01
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone

1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone (PubChem CID 19905270) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone
PubChem CID19905270
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone
SMILESO=C(CN1CCSC1)c1ccc(F)cc1
InChIInChI=1S/C11H12FNOS/c12-10-3-1-9(2-4-10)11(14)7-13-5-6-15-8-13/h1-4H,5-8H2
InChIKeyNQROALSJPYKBBF-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone (CID 19905270) is 1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone is O=C(CN1CCSC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone?
The InChIKey is NQROALSJPYKBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c12-10-3-1-9(2-4-10)11(14)7-13-5-6-15-8-13/h1-4H,5-8H2.
What are the key properties of 1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone?
1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone has a molecular weight of 225.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 19905270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).