N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C14H12F3N5OS — CID 110385065

IUPACN-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1nn2c(C(F)(F)F)nnc2s1
InChIInChI=1S/C14H12F3N5OS/c1-3-8-6-4-5-7(2)9(8)18-10(23)11-21-22-12(14(15,16)17)19-20-13(22)24-11/h4-6H,3H2,1-2H3,(H,18,23)
InChIKeyGAAUFAZVNZGMNH-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.33
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110385065) has the molecular formula C14H12F3N5OS and a molecular weight of 355.35 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110385065
Molecular FormulaC14H12F3N5OS
Molecular Weight355.35 g/mol
Exact Mass355.07
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1nn2c(C(F)(F)F)nnc2s1
InChIInChI=1S/C14H12F3N5OS/c1-3-8-6-4-5-7(2)9(8)18-10(23)11-21-22-12(14(15,16)17)19-20-13(22)24-11/h4-6H,3H2,1-2H3,(H,18,23)
InChIKeyGAAUFAZVNZGMNH-UHFFFAOYSA-N
XLogP3.33
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide with MolForge

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Related Compounds

N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384682
N-(2-ethylphenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384875
2-amino-N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793049
2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696510
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
5-ethyl-N-(2-ethyl-6-methylphenyl)-4-methylthiophene-2-carboxamide
CID 4820644
ethyl 4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carbonyl]piperazine-1-carboxylate
CID 110385030
5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17015813
N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 20913742
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110385065) is N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is CCc1cccc(C)c1NC(=O)c1nn2c(C(F)(F)F)nnc2s1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is GAAUFAZVNZGMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5OS/c1-3-8-6-4-5-7(2)9(8)18-10(23)11-21-22-12(14(15,16)17)19-20-13(22)24-11/h4-6H,3H2,1-2H3,(H,18,23).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110385065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).