2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole

C16H10N4S — CID 167901241

IUPAC2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole
SMILESc1cncc(-c2nnc(-c3ccc4ncccc4c3)s2)c1
InChIInChI=1S/C16H10N4S/c1-4-13(10-17-7-1)16-20-19-15(21-16)12-5-6-14-11(9-12)3-2-8-18-14/h1-10H
InChIKeyXPYWPDJBGBOEAE-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.82
Rot. Bonds2

About 2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole

2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole (PubChem CID 167901241) has the molecular formula C16H10N4S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole
PubChem CID167901241
Molecular FormulaC16H10N4S
Molecular Weight290.35 g/mol
Exact Mass290.06
IUPAC Name2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole
SMILESc1cncc(-c2nnc(-c3ccc4ncccc4c3)s2)c1
InChIInChI=1S/C16H10N4S/c1-4-13(10-17-7-1)16-20-19-15(21-16)12-5-6-14-11(9-12)3-2-8-18-14/h1-10H
InChIKeyXPYWPDJBGBOEAE-UHFFFAOYSA-N
XLogP3.82
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-2-yl-6-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[3,2-c]pyridine
CID 123696099
4-bromo-2-quinolin-6-yl-1,3-thiazole
CID 81221650
3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole
CID 102943433
6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline
CID 155195938
6-(3-methylphenyl)quinoline
CID 4185278
6-pyridin-2-yl-2-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridine
CID 121378342
6-(1H-azirin-2-yl)quinoline
CID 146540612
4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine
CID 123528594
6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline
CID 146230638
6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline
CID 155196021
6-quinolin-6-ylpyrazin-2-amine
CID 81222208
6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51053062

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole?
The IUPAC name of 2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole (CID 167901241) is 2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole is c1cncc(-c2nnc(-c3ccc4ncccc4c3)s2)c1.
What is the InChIKey of 2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole?
The InChIKey is XPYWPDJBGBOEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4S/c1-4-13(10-17-7-1)16-20-19-15(21-16)12-5-6-14-11(9-12)3-2-8-18-14/h1-10H.
What are the key properties of 2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole?
2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole has a molecular weight of 290.35 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole is sourced from PubChem (CID 167901241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).