3-naphthalen-2-yl-1,2,4-thiadiazole

C12H8N2S — CID 90932998

IUPAC3-naphthalen-2-yl-1,2,4-thiadiazole
SMILESc1ccc2cc(-c3ncsn3)ccc2c1
InChIInChI=1S/C12H8N2S/c1-2-4-10-7-11(6-5-9(10)3-1)12-13-8-15-14-12/h1-8H
InChIKeyJQUUWEGQORFYEW-UHFFFAOYSA-N
MW212.28 g/mol
LogP3.36
Rot. Bonds1

About 3-naphthalen-2-yl-1,2,4-thiadiazole

3-naphthalen-2-yl-1,2,4-thiadiazole (PubChem CID 90932998) has the molecular formula C12H8N2S and a molecular weight of 212.28 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-naphthalen-2-yl-1,2,4-thiadiazole
PubChem CID90932998
Molecular FormulaC12H8N2S
Molecular Weight212.28 g/mol
Exact Mass212.04
IUPAC Name3-naphthalen-2-yl-1,2,4-thiadiazole
SMILESc1ccc2cc(-c3ncsn3)ccc2c1
InChIInChI=1S/C12H8N2S/c1-2-4-10-7-11(6-5-9(10)3-1)12-13-8-15-14-12/h1-8H
InChIKeyJQUUWEGQORFYEW-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dibromo-2-naphthalen-2-ylpyrimidine
CID 71324653
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
2-(3,5-dipyridin-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118582331
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane
CID 165043566
2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 171469862
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 58382639
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1,2,4-thiadiazole?
The IUPAC name of 3-naphthalen-2-yl-1,2,4-thiadiazole (CID 90932998) is 3-naphthalen-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-naphthalen-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-naphthalen-2-yl-1,2,4-thiadiazole is c1ccc2cc(-c3ncsn3)ccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-1,2,4-thiadiazole?
The InChIKey is JQUUWEGQORFYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2S/c1-2-4-10-7-11(6-5-9(10)3-1)12-13-8-15-14-12/h1-8H.
What are the key properties of 3-naphthalen-2-yl-1,2,4-thiadiazole?
3-naphthalen-2-yl-1,2,4-thiadiazole has a molecular weight of 212.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 90932998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).