N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C14H7F3N6OS — CID 110385118

IUPACN-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1nn2c(C(F)(F)F)nnc2s1
InChIInChI=1S/C14H7F3N6OS/c15-14(16,17)12-20-21-13-23(12)22-11(25-13)10(24)19-8-5-1-3-7-4-2-6-18-9(7)8/h1-6H,(H,19,24)
InChIKeyKOOOHBSYXZEGCF-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.01
Rot. Bonds2

About N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110385118) has the molecular formula C14H7F3N6OS and a molecular weight of 364.31 g/mol. Its IUPAC name is N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110385118
Molecular FormulaC14H7F3N6OS
Molecular Weight364.31 g/mol
Exact Mass364.04
IUPAC NameN-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1nn2c(C(F)(F)F)nnc2s1
InChIInChI=1S/C14H7F3N6OS/c15-14(16,17)12-20-21-13-23(12)22-11(25-13)10(24)19-8-5-1-3-7-4-2-6-18-9(7)8/h1-6H,(H,19,24)
InChIKeyKOOOHBSYXZEGCF-UHFFFAOYSA-N
XLogP3.01
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385075
N-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384743
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide
CID 26123631
N-quinolin-8-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 35326841
2-bromo-6-hydroxy-N-quinolin-8-ylbenzamide
CID 174610823
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385005
2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110863548
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide
CID 15164362
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762

Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110385118) is N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is O=C(Nc1cccc2cccnc12)c1nn2c(C(F)(F)F)nnc2s1.
What is the InChIKey of N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is KOOOHBSYXZEGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N6OS/c15-14(16,17)12-20-21-13-23(12)22-11(25-13)10(24)19-8-5-1-3-7-4-2-6-18-9(7)8/h1-6H,(H,19,24).
What are the key properties of N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 364.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110385118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).