6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C17H11N5OS2 — CID 42581066

IUPAC6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc2nc(-c3nn4c(-c5cccs5)nnc4s3)ccc2c1
InChIInChI=1S/C17H11N5OS2/c1-23-11-5-7-12-10(9-11)4-6-13(18-12)16-21-22-15(14-3-2-8-24-14)19-20-17(22)25-16/h2-9H,1H3
InChIKeyFVUBJSPKTWMFRK-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.14
Rot. Bonds3

About 6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 42581066) has the molecular formula C17H11N5OS2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID42581066
Molecular FormulaC17H11N5OS2
Molecular Weight365.44 g/mol
Exact Mass365.04
IUPAC Name6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc2nc(-c3nn4c(-c5cccs5)nnc4s3)ccc2c1
InChIInChI=1S/C17H11N5OS2/c1-23-11-5-7-12-10(9-11)4-6-13(18-12)16-21-22-15(14-3-2-8-24-14)19-20-17(22)25-16/h2-9H,1H3
InChIKeyFVUBJSPKTWMFRK-UHFFFAOYSA-N
XLogP4.14
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 42581066) is 6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1ccc2nc(-c3nn4c(-c5cccs5)nnc4s3)ccc2c1.
What is the InChIKey of 6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is FVUBJSPKTWMFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5OS2/c1-23-11-5-7-12-10(9-11)4-6-13(18-12)16-21-22-15(14-3-2-8-24-14)19-20-17(22)25-16/h2-9H,1H3.
What are the key properties of 6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 365.44 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxyquinolin-2-yl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 42581066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).