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

C11H9FN2O2S — CID 141005431

IUPAC[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl acetate
SMILESCC(=O)OCc1nnc(-c2ccccc2F)s1
InChIInChI=1S/C11H9FN2O2S/c1-7(15)16-6-10-13-14-11(17-10)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3
InChIKeyYFXAOQMNRDWOJY-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.41
Rot. Bonds3

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

[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl acetate (PubChem CID 141005431) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl acetate
PubChem CID141005431
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl acetate
SMILESCC(=O)OCc1nnc(-c2ccccc2F)s1
InChIInChI=1S/C11H9FN2O2S/c1-7(15)16-6-10-13-14-11(17-10)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3
InChIKeyYFXAOQMNRDWOJY-UHFFFAOYSA-N
XLogP2.41
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl acetate?
The IUPAC name of [5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl acetate (CID 141005431) is [5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl acetate.
What is the SMILES notation for [5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl acetate?
The canonical SMILES for [5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl acetate is CC(=O)OCc1nnc(-c2ccccc2F)s1.
What is the InChIKey of [5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl acetate?
The InChIKey is YFXAOQMNRDWOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c1-7(15)16-6-10-13-14-11(17-10)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3.
What are the key properties of [5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl acetate?
[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl acetate has a molecular weight of 252.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl acetate is sourced from PubChem (CID 141005431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).