5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole

C12H8BrN3S — CID 102617864

IUPAC5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole
SMILESCc1cc(-c2nsc(Br)n2)nc2ccccc12
InChIInChI=1S/C12H8BrN3S/c1-7-6-10(11-15-12(13)17-16-11)14-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKeyILYDYVPIPWYGBQ-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.82
Rot. Bonds1

About 5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole

5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole (PubChem CID 102617864) has the molecular formula C12H8BrN3S and a molecular weight of 306.19 g/mol. Its IUPAC name is 5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole
PubChem CID102617864
Molecular FormulaC12H8BrN3S
Molecular Weight306.19 g/mol
Exact Mass304.96
IUPAC Name5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole
SMILESCc1cc(-c2nsc(Br)n2)nc2ccccc12
InChIInChI=1S/C12H8BrN3S/c1-7-6-10(11-15-12(13)17-16-11)14-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKeyILYDYVPIPWYGBQ-UHFFFAOYSA-N
XLogP3.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
CID 47104793
4-methyl-2-(2,3,4,5-tetramethylphenyl)quinoline
CID 59348556
2-(4-iodophenyl)-4-methylquinoline
CID 8966469
2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline
CID 8966475
4-methyl-6-(4-methylquinolin-2-yl)-1,3,5-triazin-2-amine
CID 114755546
2-(4-methylquinolin-2-yl)benzenethiol
CID 136656831
2-(1-benzothiophen-2-yl)-4-methylquinoline
CID 71817881
2-(4-methylquinolin-2-yl)pyrimidin-4-amine
CID 114755416
4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine
CID 114754484
6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde
CID 114755476
2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline
CID 114754592
2-(2-bromoethyl)-4-methylquinoline
CID 174495711

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole (CID 102617864) is 5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole is Cc1cc(-c2nsc(Br)n2)nc2ccccc12.
What is the InChIKey of 5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole?
The InChIKey is ILYDYVPIPWYGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3S/c1-7-6-10(11-15-12(13)17-16-11)14-9-5-3-2-4-8(7)9/h2-6H,1H3.
What are the key properties of 5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole?
5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole has a molecular weight of 306.19 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102617864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).