[difluoro(1,3-thiazol-5-yl)methyl] acetate

C6H5F2NO2S — CID 53494837

IUPAC[difluoro(1,3-thiazol-5-yl)methyl] acetate
SMILESCC(=O)OC(F)(F)c1cncs1
InChIInChI=1S/C6H5F2NO2S/c1-4(10)11-6(7,8)5-2-9-3-12-5/h2-3H,1H3
InChIKeyTYKRKHULSZKZNI-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.76
Rot. Bonds2

About [difluoro(1,3-thiazol-5-yl)methyl] acetate

[difluoro(1,3-thiazol-5-yl)methyl] acetate (PubChem CID 53494837) has the molecular formula C6H5F2NO2S and a molecular weight of 193.17 g/mol. Its IUPAC name is [difluoro(1,3-thiazol-5-yl)methyl] acetate.

Molecular Properties

Compound Name[difluoro(1,3-thiazol-5-yl)methyl] acetate
PubChem CID53494837
Molecular FormulaC6H5F2NO2S
Molecular Weight193.17 g/mol
Exact Mass193.00
IUPAC Name[difluoro(1,3-thiazol-5-yl)methyl] acetate
SMILESCC(=O)OC(F)(F)c1cncs1
InChIInChI=1S/C6H5F2NO2S/c1-4(10)11-6(7,8)5-2-9-3-12-5/h2-3H,1H3
InChIKeyTYKRKHULSZKZNI-UHFFFAOYSA-N
XLogP1.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [difluoro(1,3-thiazol-5-yl)methyl] acetate?
The IUPAC name of [difluoro(1,3-thiazol-5-yl)methyl] acetate (CID 53494837) is [difluoro(1,3-thiazol-5-yl)methyl] acetate.
What is the SMILES notation for [difluoro(1,3-thiazol-5-yl)methyl] acetate?
The canonical SMILES for [difluoro(1,3-thiazol-5-yl)methyl] acetate is CC(=O)OC(F)(F)c1cncs1.
What is the InChIKey of [difluoro(1,3-thiazol-5-yl)methyl] acetate?
The InChIKey is TYKRKHULSZKZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2S/c1-4(10)11-6(7,8)5-2-9-3-12-5/h2-3H,1H3.
What are the key properties of [difluoro(1,3-thiazol-5-yl)methyl] acetate?
[difluoro(1,3-thiazol-5-yl)methyl] acetate has a molecular weight of 193.17 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(1,3-thiazol-5-yl)methyl] acetate is sourced from PubChem (CID 53494837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).