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

C12H8F3N3OS — CID 73425199

IUPAC6-methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1c(-c2ccc(OC(F)(F)F)cc2)sc2ncnn12
InChIInChI=1S/C12H8F3N3OS/c1-7-10(20-11-16-6-17-18(7)11)8-2-4-9(5-3-8)19-12(13,14)15/h2-6H,1H3
InChIKeyOMWJXUHAHYAVQE-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.66
Rot. Bonds2

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

6-methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 73425199) has the molecular formula C12H8F3N3OS and a molecular weight of 299.28 g/mol. Its IUPAC name is 6-methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name6-methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID73425199
Molecular FormulaC12H8F3N3OS
Molecular Weight299.28 g/mol
Exact Mass299.03
IUPAC Name6-methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1c(-c2ccc(OC(F)(F)F)cc2)sc2ncnn12
InChIInChI=1S/C12H8F3N3OS/c1-7-10(20-11-16-6-17-18(7)11)8-2-4-9(5-3-8)19-12(13,14)15/h2-6H,1H3
InChIKeyOMWJXUHAHYAVQE-UHFFFAOYSA-N
XLogP3.66
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510431
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 142362621
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole
CID 174608293
3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 52901562
2-ethyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510760
4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 21025907
2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 59726235
3-pyridin-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 52898479
methyl 3-methyl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxylate
CID 44818306
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 6-methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 73425199) is 6-methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 6-methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 6-methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole is Cc1c(-c2ccc(OC(F)(F)F)cc2)sc2ncnn12.
What is the InChIKey of 6-methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is OMWJXUHAHYAVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3OS/c1-7-10(20-11-16-6-17-18(7)11)8-2-4-9(5-3-8)19-12(13,14)15/h2-6H,1H3.
What are the key properties of 6-methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole?
6-methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 299.28 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 73425199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).