2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole

C8H4F3N5OS — CID 51043868

IUPAC2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole
SMILESCc1nc(-c2nn3c(C(F)(F)F)nnc3s2)co1
InChIInChI=1S/C8H4F3N5OS/c1-3-12-4(2-17-3)5-15-16-6(8(9,10)11)13-14-7(16)18-5/h2H,1H3
InChIKeyCEZBFLFIWXUWJT-UHFFFAOYSA-N
MW275.22 g/mol
LogP2.17
Rot. Bonds1

About 2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole

2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole (PubChem CID 51043868) has the molecular formula C8H4F3N5OS and a molecular weight of 275.22 g/mol. Its IUPAC name is 2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole
PubChem CID51043868
Molecular FormulaC8H4F3N5OS
Molecular Weight275.22 g/mol
Exact Mass275.01
IUPAC Name2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole
SMILESCc1nc(-c2nn3c(C(F)(F)F)nnc3s2)co1
InChIInChI=1S/C8H4F3N5OS/c1-3-12-4(2-17-3)5-15-16-6(8(9,10)11)13-14-7(16)18-5/h2H,1H3
InChIKeyCEZBFLFIWXUWJT-UHFFFAOYSA-N
XLogP2.17
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850279
6-(furan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 667007
6-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 19616122
6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine
CID 114352910
5-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
CID 136991416
2-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
CID 82048281
4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine
CID 114915776
6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 52899363
3,6-dichloro-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
CID 107050307
6-(4-chloro-1,5-dimethylpyrazol-3-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 19616087
6-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51052834
4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol
CID 136903903

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole (CID 51043868) is 2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole is Cc1nc(-c2nn3c(C(F)(F)F)nnc3s2)co1.
What is the InChIKey of 2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole?
The InChIKey is CEZBFLFIWXUWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N5OS/c1-3-12-4(2-17-3)5-15-16-6(8(9,10)11)13-14-7(16)18-5/h2H,1H3.
What are the key properties of 2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole?
2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole has a molecular weight of 275.22 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole is sourced from PubChem (CID 51043868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).