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

C11H6BrN3S — CID 102943433

IUPAC3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole
SMILESBrc1nsc(-c2ccc3ncccc3c2)n1
InChIInChI=1S/C11H6BrN3S/c12-11-14-10(16-15-11)8-3-4-9-7(6-8)2-1-5-13-9/h1-6H
InChIKeyMGJGLGJXXHZZPN-UHFFFAOYSA-N
MW292.16 g/mol
LogP3.52
Rot. Bonds1

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

3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole (PubChem CID 102943433) has the molecular formula C11H6BrN3S and a molecular weight of 292.16 g/mol. Its IUPAC name is 3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole
PubChem CID102943433
Molecular FormulaC11H6BrN3S
Molecular Weight292.16 g/mol
Exact Mass290.95
IUPAC Name3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole
SMILESBrc1nsc(-c2ccc3ncccc3c2)n1
InChIInChI=1S/C11H6BrN3S/c12-11-14-10(16-15-11)8-3-4-9-7(6-8)2-1-5-13-9/h1-6H
InChIKeyMGJGLGJXXHZZPN-UHFFFAOYSA-N
XLogP3.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-quinolin-6-yl-1,3-thiazole
CID 81221650
2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole
CID 167901241
bis(6-bromoquinoline);hydrate
CID 174834691
6-(1H-azirin-2-yl)quinoline
CID 146540612
6-(3-methylphenyl)quinoline
CID 4185278
6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51053062
2-fluoro-6-quinolin-6-ylaniline
CID 107602869
6-[4-(bromomethyl)pyrimidin-2-yl]quinoline
CID 114205846
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
2-chloro-7-quinolin-6-ylquinoline
CID 176598696
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 154599225

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole (CID 102943433) is 3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole is Brc1nsc(-c2ccc3ncccc3c2)n1.
What is the InChIKey of 3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole?
The InChIKey is MGJGLGJXXHZZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3S/c12-11-14-10(16-15-11)8-3-4-9-7(6-8)2-1-5-13-9/h1-6H.
What are the key properties of 3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole?
3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole has a molecular weight of 292.16 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole is sourced from PubChem (CID 102943433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).