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

C8H6F3N3O2S — CID 2745893

IUPACmethyl 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate
SMILESCOC(=O)c1sc2nc(C(F)(F)F)nn2c1C
InChIInChI=1S/C8H6F3N3O2S/c1-3-4(5(15)16-2)17-7-12-6(8(9,10)11)13-14(3)7/h1-2H3
InChIKeyMSWFGRCCITYTSO-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.90
Rot. Bonds1

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

methyl 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate (PubChem CID 2745893) has the molecular formula C8H6F3N3O2S and a molecular weight of 265.22 g/mol. Its IUPAC name is methyl 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate
PubChem CID2745893
Molecular FormulaC8H6F3N3O2S
Molecular Weight265.22 g/mol
Exact Mass265.01
IUPAC Namemethyl 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate
SMILESCOC(=O)c1sc2nc(C(F)(F)F)nn2c1C
InChIInChI=1S/C8H6F3N3O2S/c1-3-4(5(15)16-2)17-7-12-6(8(9,10)11)13-14(3)7/h1-2H3
InChIKeyMSWFGRCCITYTSO-UHFFFAOYSA-N
XLogP1.90
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate?
The IUPAC name of methyl 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate (CID 2745893) is methyl 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate?
The canonical SMILES for methyl 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate is COC(=O)c1sc2nc(C(F)(F)F)nn2c1C.
What is the InChIKey of methyl 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate?
The InChIKey is MSWFGRCCITYTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O2S/c1-3-4(5(15)16-2)17-7-12-6(8(9,10)11)13-14(3)7/h1-2H3.
What are the key properties of methyl 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate?
methyl 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate has a molecular weight of 265.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate is sourced from PubChem (CID 2745893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).