[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate

C11H10FNO2S — CID 174491320

IUPAC[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate
SMILESCC(=O)OC1CSC(c2ccc(F)cc2)=N1
InChIInChI=1S/C11H10FNO2S/c1-7(14)15-10-6-16-11(13-10)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3
InChIKeyNVSSQHJSWCFFQU-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.21
Rot. Bonds2

About [2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate

[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate (PubChem CID 174491320) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate
PubChem CID174491320
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate
SMILESCC(=O)OC1CSC(c2ccc(F)cc2)=N1
InChIInChI=1S/C11H10FNO2S/c1-7(14)15-10-6-16-11(13-10)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3
InChIKeyNVSSQHJSWCFFQU-UHFFFAOYSA-N
XLogP2.21
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate?
The IUPAC name of [2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate (CID 174491320) is [2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate?
The canonical SMILES for [2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate is CC(=O)OC1CSC(c2ccc(F)cc2)=N1.
What is the InChIKey of [2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate?
The InChIKey is NVSSQHJSWCFFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-7(14)15-10-6-16-11(13-10)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate?
[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate has a molecular weight of 239.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl] acetate is sourced from PubChem (CID 174491320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).