5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid

C10H7FN2O3S — CID 117214572

IUPAC5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1COc1cccc(F)c1
InChIInChI=1S/C10H7FN2O3S/c11-6-2-1-3-7(4-6)16-5-8-9(10(14)15)12-13-17-8/h1-4H,5H2,(H,14,15)
InChIKeyXZCIJAKOUDOBIF-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.95
Rot. Bonds4

About 5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid

5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid (PubChem CID 117214572) has the molecular formula C10H7FN2O3S and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid
PubChem CID117214572
Molecular FormulaC10H7FN2O3S
Molecular Weight254.24 g/mol
Exact Mass254.02
IUPAC Name5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1COc1cccc(F)c1
InChIInChI=1S/C10H7FN2O3S/c11-6-2-1-3-7(4-6)16-5-8-9(10(14)15)12-13-17-8/h1-4H,5H2,(H,14,15)
InChIKeyXZCIJAKOUDOBIF-UHFFFAOYSA-N
XLogP1.95
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid (CID 117214572) is 5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid is O=C(O)c1nnsc1COc1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid?
The InChIKey is XZCIJAKOUDOBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3S/c11-6-2-1-3-7(4-6)16-5-8-9(10(14)15)12-13-17-8/h1-4H,5H2,(H,14,15).
What are the key properties of 5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid?
5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]thiadiazole-4-carboxylic acid is sourced from PubChem (CID 117214572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).