2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide

C12H12FN3O3S — CID 71995626

IUPAC2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1nnc(-c2ccccc2F)o1
InChIInChI=1S/C12H12FN3O3S/c13-10-5-2-1-4-9(10)12-15-14-11(19-12)8-16-6-3-7-20(16,17)18/h1-2,4-5H,3,6-8H2
InChIKeyWAJMAPTVVZHFGW-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.41
Rot. Bonds3

About 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide

2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 71995626) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID71995626
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC Name2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1nnc(-c2ccccc2F)o1
InChIInChI=1S/C12H12FN3O3S/c13-10-5-2-1-4-9(10)12-15-14-11(19-12)8-16-6-3-7-20(16,17)18/h1-2,4-5H,3,6-8H2
InChIKeyWAJMAPTVVZHFGW-UHFFFAOYSA-N
XLogP1.41
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide (CID 71995626) is 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1Cc1nnc(-c2ccccc2F)o1.
What is the InChIKey of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is WAJMAPTVVZHFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c13-10-5-2-1-4-9(10)12-15-14-11(19-12)8-16-6-3-7-20(16,17)18/h1-2,4-5H,3,6-8H2.
What are the key properties of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 297.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 71995626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).