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

C13H12FNO2S — CID 54137446

IUPAC[(2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methyl] acetate
SMILESCC(=O)OC(c1ccccc1F)c1scnc1C
InChIInChI=1S/C13H12FNO2S/c1-8-13(18-7-15-8)12(17-9(2)16)10-5-3-4-6-11(10)14/h3-7,12H,1-2H3
InChIKeyNYSGWFSUQYKARE-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.24
Rot. Bonds3

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

[(2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methyl] acetate (PubChem CID 54137446) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is [(2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methyl] acetate.

Molecular Properties

Compound Name[(2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methyl] acetate
PubChem CID54137446
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name[(2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methyl] acetate
SMILESCC(=O)OC(c1ccccc1F)c1scnc1C
InChIInChI=1S/C13H12FNO2S/c1-8-13(18-7-15-8)12(17-9(2)16)10-5-3-4-6-11(10)14/h3-7,12H,1-2H3
InChIKeyNYSGWFSUQYKARE-UHFFFAOYSA-N
XLogP3.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methyl] acetate?
The IUPAC name of [(2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methyl] acetate (CID 54137446) is [(2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methyl] acetate.
What is the SMILES notation for [(2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methyl] acetate?
The canonical SMILES for [(2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methyl] acetate is CC(=O)OC(c1ccccc1F)c1scnc1C.
What is the InChIKey of [(2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methyl] acetate?
The InChIKey is NYSGWFSUQYKARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-8-13(18-7-15-8)12(17-9(2)16)10-5-3-4-6-11(10)14/h3-7,12H,1-2H3.
What are the key properties of [(2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methyl] acetate?
[(2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methyl] acetate has a molecular weight of 265.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methyl] acetate is sourced from PubChem (CID 54137446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).