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

C11H6BrN3S — CID 102943376

IUPAC3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole
SMILESBrc1nsc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C11H6BrN3S/c12-11-14-10(16-15-11)9-6-5-7-3-1-2-4-8(7)13-9/h1-6H
InChIKeyMBKLROARQCTTKF-UHFFFAOYSA-N
MW292.16 g/mol
LogP3.52
Rot. Bonds1

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

3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole (PubChem CID 102943376) has the molecular formula C11H6BrN3S and a molecular weight of 292.16 g/mol. Its IUPAC name is 3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole
PubChem CID102943376
Molecular FormulaC11H6BrN3S
Molecular Weight292.16 g/mol
Exact Mass290.95
IUPAC Name3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole
SMILESBrc1nsc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C11H6BrN3S/c12-11-14-10(16-15-11)9-6-5-7-3-1-2-4-8(7)13-9/h1-6H
InChIKeyMBKLROARQCTTKF-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

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Related Compounds

3-bromo-5-(5,6-dimethyl-2-pyridinyl)-1,2,4-thiadiazole
CID 130689955
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole
CID 102943171
4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole
CID 63222410
iridium;tris(2-phenylquinoline)
CID 122129463
N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
CID 24938565
5-pyridin-2-yl-2-quinolin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 102047638
7-bromo-8-methyl-2-quinolin-2-ylquinoline
CID 175727563
3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole
CID 102943433
5,10-di(quinolin-2-yl)benzo[g]isoquinoline
CID 59183077
2-[4-(difluoromethyl)phenyl]quinoline
CID 140737123
2-(5-iodothiophen-2-yl)quinoline
CID 125484417

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole (CID 102943376) is 3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole is Brc1nsc(-c2ccc3ccccc3n2)n1.
What is the InChIKey of 3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole?
The InChIKey is MBKLROARQCTTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3S/c12-11-14-10(16-15-11)9-6-5-7-3-1-2-4-8(7)13-9/h1-6H.
What are the key properties of 3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole?
3-bromo-5-quinolin-2-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-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 102943376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).