5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid

C13H11N3O3S — CID 82166848

IUPAC5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid
SMILESCCOc1ccccc1-c1csc2nnc(C(=O)O)n12
InChIInChI=1S/C13H11N3O3S/c1-2-19-10-6-4-3-5-8(10)9-7-20-13-15-14-11(12(17)18)16(9)13/h3-7H,2H2,1H3,(H,17,18)
InChIKeyAMYDADKVZWCDGB-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.55
Rot. Bonds4

About 5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid

5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid (PubChem CID 82166848) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid
PubChem CID82166848
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid
SMILESCCOc1ccccc1-c1csc2nnc(C(=O)O)n12
InChIInChI=1S/C13H11N3O3S/c1-2-19-10-6-4-3-5-8(10)9-7-20-13-15-14-11(12(17)18)16(9)13/h3-7H,2H2,1H3,(H,17,18)
InChIKeyAMYDADKVZWCDGB-UHFFFAOYSA-N
XLogP2.55
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine
CID 82166846
3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035864
3-(2-ethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068640
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198776
6-(2-ethoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 82518873
1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
CID 82166962
2-[3-(2-ethoxyphenyl)-1,2,4-triazol-1-yl]acetic acid
CID 82295719
2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980399
6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
CID 84761108
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid?
The IUPAC name of 5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid (CID 82166848) is 5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid?
The canonical SMILES for 5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid is CCOc1ccccc1-c1csc2nnc(C(=O)O)n12.
What is the InChIKey of 5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid?
The InChIKey is AMYDADKVZWCDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-2-19-10-6-4-3-5-8(10)9-7-20-13-15-14-11(12(17)18)16(9)13/h3-7H,2H2,1H3,(H,17,18).
What are the key properties of 5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid?
5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid has a molecular weight of 289.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid is sourced from PubChem (CID 82166848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).