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

C13H8N6OS — CID 110384743

IUPACN-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1nn2cnnc2s1
InChIInChI=1S/C13H8N6OS/c20-11(12-18-19-7-15-17-13(19)21-12)16-9-5-1-3-8-4-2-6-14-10(8)9/h1-7H,(H,16,20)
InChIKeyCYYYSIGZXKHSGR-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.99
Rot. Bonds2

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

N-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110384743) has the molecular formula C13H8N6OS and a molecular weight of 296.32 g/mol. Its IUPAC name is N-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110384743
Molecular FormulaC13H8N6OS
Molecular Weight296.32 g/mol
Exact Mass296.05
IUPAC NameN-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1nn2cnnc2s1
InChIInChI=1S/C13H8N6OS/c20-11(12-18-19-7-15-17-13(19)21-12)16-9-5-1-3-8-4-2-6-14-10(8)9/h1-7H,(H,16,20)
InChIKeyCYYYSIGZXKHSGR-UHFFFAOYSA-N
XLogP1.99
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385118
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
2-chloro-N-quinolin-8-ylfuran-3-carboxamide
CID 106685180
5-iodo-N-quinolin-8-ylthiophene-3-carboxamide
CID 78948742
N-quinolin-8-ylpyrazine-2-carboxamide
CID 139088852
3-methyl-N-quinolin-8-ylfuran-2-carboxamide
CID 17461248
5-methyl-N-quinolin-8-ylthiophene-3-carboxamide
CID 166451949
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
6-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103186933
2-bromo-6-hydroxy-N-quinolin-8-ylbenzamide
CID 174610823
5-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103817057

Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110384743) is N-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is O=C(Nc1cccc2cccnc12)c1nn2cnnc2s1.
What is the InChIKey of N-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is CYYYSIGZXKHSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N6OS/c20-11(12-18-19-7-15-17-13(19)21-12)16-9-5-1-3-8-4-2-6-14-10(8)9/h1-7H,(H,16,20).
What are the key properties of N-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 1.99, 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-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110384743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).