6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid

C7H4F3N3O2S — CID 2745829

IUPAC6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid
SMILESCc1c(C(=O)O)sc2nc(C(F)(F)F)nn12
InChIInChI=1S/C7H4F3N3O2S/c1-2-3(4(14)15)16-6-11-5(7(8,9)10)12-13(2)6/h1H3,(H,14,15)
InChIKeyQKPVLIBZNMKJJC-UHFFFAOYSA-N
MW251.19 g/mol
LogP1.82
Rot. Bonds1

About 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid

6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid (PubChem CID 2745829) has the molecular formula C7H4F3N3O2S and a molecular weight of 251.19 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid
PubChem CID2745829
Molecular FormulaC7H4F3N3O2S
Molecular Weight251.19 g/mol
Exact Mass251.00
IUPAC Name6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid
SMILESCc1c(C(=O)O)sc2nc(C(F)(F)F)nn12
InChIInChI=1S/C7H4F3N3O2S/c1-2-3(4(14)15)16-6-11-5(7(8,9)10)12-13(2)6/h1H3,(H,14,15)
InChIKeyQKPVLIBZNMKJJC-UHFFFAOYSA-N
XLogP1.82
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid?
The IUPAC name of 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid (CID 2745829) is 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid is Cc1c(C(=O)O)sc2nc(C(F)(F)F)nn12.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid?
The InChIKey is QKPVLIBZNMKJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O2S/c1-2-3(4(14)15)16-6-11-5(7(8,9)10)12-13(2)6/h1H3,(H,14,15).
What are the key properties of 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid?
6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid has a molecular weight of 251.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid is sourced from PubChem (CID 2745829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).