4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid

C8H8F3N3O3S — CID 107304256

IUPAC4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H8F3N3O3S/c9-8(10,11)6-12-7(18-13-6)14-2-3(15)1-4(14)5(16)17/h3-4,15H,1-2H2,(H,16,17)
InChIKeyYQGIBDAQUIFRQZ-UHFFFAOYSA-N
MW283.23 g/mol
LogP0.58
Rot. Bonds2

About 4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid (PubChem CID 107304256) has the molecular formula C8H8F3N3O3S and a molecular weight of 283.23 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
PubChem CID107304256
Molecular FormulaC8H8F3N3O3S
Molecular Weight283.23 g/mol
Exact Mass283.02
IUPAC Name4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H8F3N3O3S/c9-8(10,11)6-12-7(18-13-6)14-2-3(15)1-4(14)5(16)17/h3-4,15H,1-2H2,(H,16,17)
InChIKeyYQGIBDAQUIFRQZ-UHFFFAOYSA-N
XLogP0.58
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid (CID 107304256) is 4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of 4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is YQGIBDAQUIFRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3S/c9-8(10,11)6-12-7(18-13-6)14-2-3(15)1-4(14)5(16)17/h3-4,15H,1-2H2,(H,16,17).
What are the key properties of 4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 283.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107304256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).