3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C18H11N5S — CID 16765074

IUPAC3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1
InChIInChI=1S/C18H11N5S/c1-2-7-13(8-3-1)16-20-21-18-23(16)22-17(24-18)15-11-10-12-6-4-5-9-14(12)19-15/h1-11H
InChIKeyQXQIODSBSPAAAH-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.07
Rot. Bonds2

About 3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 16765074) has the molecular formula C18H11N5S and a molecular weight of 329.39 g/mol. Its IUPAC name is 3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID16765074
Molecular FormulaC18H11N5S
Molecular Weight329.39 g/mol
Exact Mass329.07
IUPAC Name3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1
InChIInChI=1S/C18H11N5S/c1-2-7-13(8-3-1)16-20-21-18-23(16)22-17(24-18)15-11-10-12-6-4-5-9-14(12)19-15/h1-11H
InChIKeyQXQIODSBSPAAAH-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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 16765074) is 3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1.
What is the InChIKey of 3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is QXQIODSBSPAAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5S/c1-2-7-13(8-3-1)16-20-21-18-23(16)22-17(24-18)15-11-10-12-6-4-5-9-14(12)19-15/h1-11H.
What are the key properties of 3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-phenyl-6-quinolin-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 3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 16765074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).