3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid

C11H6ClN3O2S — CID 98022801

IUPAC3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid
SMILESO=C(O)c1cn2c(-c3ccccc3Cl)nnc2s1
InChIInChI=1S/C11H6ClN3O2S/c12-7-4-2-1-3-6(7)9-13-14-11-15(9)5-8(18-11)10(16)17/h1-5H,(H,16,17)
InChIKeyCBYVHKMXCZUPKL-UHFFFAOYSA-N
MW279.71 g/mol
LogP2.81
Rot. Bonds2

About 3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid

3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid (PubChem CID 98022801) has the molecular formula C11H6ClN3O2S and a molecular weight of 279.71 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid
PubChem CID98022801
Molecular FormulaC11H6ClN3O2S
Molecular Weight279.71 g/mol
Exact Mass278.99
IUPAC Name3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid
SMILESO=C(O)c1cn2c(-c3ccccc3Cl)nnc2s1
InChIInChI=1S/C11H6ClN3O2S/c12-7-4-2-1-3-6(7)9-13-14-11-15(9)5-8(18-11)10(16)17/h1-5H,(H,16,17)
InChIKeyCBYVHKMXCZUPKL-UHFFFAOYSA-N
XLogP2.81
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 28814025
8-chloro-3-(2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393487
2-[3-(2-chlorophenyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]acetic acid
CID 22979695
2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 64715180
8-chloro-3-(3-chloro-2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393296
3-(2-chlorophenyl)-6-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42535221
6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 115384598
2-chloro-6-(2-chlorophenyl)benzoic acid
CID 53225809
5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid
CID 43153970
5-(2-chlorophenyl)-3-methyltriazole-4-carboxylic acid
CID 105499694
2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2432345
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid?
The IUPAC name of 3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid (CID 98022801) is 3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid?
The canonical SMILES for 3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid is O=C(O)c1cn2c(-c3ccccc3Cl)nnc2s1.
What is the InChIKey of 3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid?
The InChIKey is CBYVHKMXCZUPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2S/c12-7-4-2-1-3-6(7)9-13-14-11-15(9)5-8(18-11)10(16)17/h1-5H,(H,16,17).
What are the key properties of 3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid?
3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid has a molecular weight of 279.71 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid is sourced from PubChem (CID 98022801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).