6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C18H11N5S — CID 25020910

IUPAC6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nnc3sc(-c4ccc5ccccc5c4)nn23)nc1
InChIInChI=1S/C18H11N5S/c1-2-6-13-11-14(9-8-12(13)5-1)17-22-23-16(20-21-18(23)24-17)15-7-3-4-10-19-15/h1-11H
InChIKeyBXGYMAYYOVUMAI-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.07
Rot. Bonds2

About 6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 25020910) has the molecular formula C18H11N5S and a molecular weight of 329.39 g/mol. Its IUPAC name is 6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID25020910
Molecular FormulaC18H11N5S
Molecular Weight329.39 g/mol
Exact Mass329.07
IUPAC Name6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nnc3sc(-c4ccc5ccccc5c4)nn23)nc1
InChIInChI=1S/C18H11N5S/c1-2-6-13-11-14(9-8-12(13)5-1)17-22-23-16(20-21-18(23)24-17)15-7-3-4-10-19-15/h1-11H
InChIKeyBXGYMAYYOVUMAI-UHFFFAOYSA-N
XLogP4.07
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

N,N-diethyl-4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 662880
N,N-dimethyl-3-[3-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
CID 17590104
6-(2-Chlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663002
N,N-dimethyl-4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 663456
3-(2-Chlorophenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665427
3-(4-Tert-butylphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 848736
6-Phenyl-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932337
6-(3-Chlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 933867
6-(4-Methylphenyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936793
6-(3-Methylphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936863
6-(2-Methylphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 937750
6-(4-Chlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 938350

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 25020910) is 6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc(-c2nnc3sc(-c4ccc5ccccc5c4)nn23)nc1.
What is the InChIKey of 6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is BXGYMAYYOVUMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5S/c1-2-6-13-11-14(9-8-12(13)5-1)17-22-23-16(20-21-18(23)24-17)15-7-3-4-10-19-15/h1-11H.
What are the key properties of 6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 329.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 25020910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).