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

C12H11FN2O2S — CID 178138746

IUPACethyl 2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nnc(-c2ccccc2F)s1
InChIInChI=1S/C12H11FN2O2S/c1-2-17-11(16)7-10-14-15-12(18-10)8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3
InChIKeyQOFLVJNIGUJPJO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.45
Rot. Bonds4

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

ethyl 2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetate (PubChem CID 178138746) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetate
PubChem CID178138746
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Nameethyl 2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nnc(-c2ccccc2F)s1
InChIInChI=1S/C12H11FN2O2S/c1-2-17-11(16)7-10-14-15-12(18-10)8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3
InChIKeyQOFLVJNIGUJPJO-UHFFFAOYSA-N
XLogP2.45
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetate (CID 178138746) is ethyl 2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetate is CCOC(=O)Cc1nnc(-c2ccccc2F)s1.
What is the InChIKey of ethyl 2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetate?
The InChIKey is QOFLVJNIGUJPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-2-17-11(16)7-10-14-15-12(18-10)8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetate?
ethyl 2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetate has a molecular weight of 266.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetate is sourced from PubChem (CID 178138746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).