4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid

C11H10N2O4S — CID 117214385

IUPAC4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid
SMILESCOc1ccc(OCc2nnsc2C(=O)O)cc1
InChIInChI=1S/C11H10N2O4S/c1-16-7-2-4-8(5-3-7)17-6-9-10(11(14)15)18-13-12-9/h2-5H,6H2,1H3,(H,14,15)
InChIKeyBIWSTJSLHCUALO-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.82
Rot. Bonds5

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

4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid (PubChem CID 117214385) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid
PubChem CID117214385
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid
SMILESCOc1ccc(OCc2nnsc2C(=O)O)cc1
InChIInChI=1S/C11H10N2O4S/c1-16-7-2-4-8(5-3-7)17-6-9-10(11(14)15)18-13-12-9/h2-5H,6H2,1H3,(H,14,15)
InChIKeyBIWSTJSLHCUALO-UHFFFAOYSA-N
XLogP1.82
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(4-methoxyphenoxy)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-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid
CID 117214376
5-[(4-methoxyphenoxy)methyl]-2H-triazole-4-carboxylic acid
CID 117214219
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid
CID 115005649
5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 82087072
4-[(dimethylamino)methyl]thiadiazole-5-carboxylic acid
CID 117214296
4-butylthiadiazole-5-carboxylic acid
CID 103691537
4-chloro-3-[(4-methoxyphenyl)methyl]-1,2-thiazole-5-carboxylic acid
CID 57313489
5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 82090734
4-[(4-methylphenoxy)methyl]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226795
4-(phenoxymethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226748
4-[(4-ethylphenoxy)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226758

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid?
The IUPAC name of 4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid (CID 117214385) is 4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid?
The canonical SMILES for 4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid is COc1ccc(OCc2nnsc2C(=O)O)cc1.
What is the InChIKey of 4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid?
The InChIKey is BIWSTJSLHCUALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-16-7-2-4-8(5-3-7)17-6-9-10(11(14)15)18-13-12-9/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid?
4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid has a molecular weight of 266.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid is sourced from PubChem (CID 117214385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).