4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid

C11H7F3N2O3S — CID 117214376

IUPAC4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid
SMILESO=C(O)c1snnc1COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H7F3N2O3S/c12-11(13,14)6-1-3-7(4-2-6)19-5-8-9(10(17)18)20-16-15-8/h1-4H,5H2,(H,17,18)
InChIKeyCKDGUYABLJPGJT-UHFFFAOYSA-N
MW304.25 g/mol
LogP2.83
Rot. Bonds4

About 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid

4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid (PubChem CID 117214376) has the molecular formula C11H7F3N2O3S and a molecular weight of 304.25 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid
PubChem CID117214376
Molecular FormulaC11H7F3N2O3S
Molecular Weight304.25 g/mol
Exact Mass304.01
IUPAC Name4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid
SMILESO=C(O)c1snnc1COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H7F3N2O3S/c12-11(13,14)6-1-3-7(4-2-6)19-5-8-9(10(17)18)20-16-15-8/h1-4H,5H2,(H,17,18)
InChIKeyCKDGUYABLJPGJT-UHFFFAOYSA-N
XLogP2.83
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-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

Related Compounds

4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid
CID 117214385
4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
CID 62195183
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-2-carboxylic acid
CID 117192357
1-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]imidazole-2-carboxylic acid
CID 117191700
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid
CID 146593712
2-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 117220530
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
2,2-dideuterio-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid
CID 155517891
2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510054
1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624077
5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
CID 117231567

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid?
The IUPAC name of 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid (CID 117214376) is 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid is O=C(O)c1snnc1COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid?
The InChIKey is CKDGUYABLJPGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3S/c12-11(13,14)6-1-3-7(4-2-6)19-5-8-9(10(17)18)20-16-15-8/h1-4H,5H2,(H,17,18).
What are the key properties of 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid?
4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid has a molecular weight of 304.25 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid is sourced from PubChem (CID 117214376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).