2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole

C12H8BrN3OS — CID 64623654

IUPAC2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole
SMILESCc1ccc2cccc(Oc3nnc(Br)s3)c2n1
InChIInChI=1S/C12H8BrN3OS/c1-7-5-6-8-3-2-4-9(10(8)14-7)17-12-16-15-11(13)18-12/h2-6H,1H3
InChIKeyOAXIHDDXQOFRLE-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.95
Rot. Bonds2

About 2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole

2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole (PubChem CID 64623654) has the molecular formula C12H8BrN3OS and a molecular weight of 322.19 g/mol. Its IUPAC name is 2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole
PubChem CID64623654
Molecular FormulaC12H8BrN3OS
Molecular Weight322.19 g/mol
Exact Mass320.96
IUPAC Name2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole
SMILESCc1ccc2cccc(Oc3nnc(Br)s3)c2n1
InChIInChI=1S/C12H8BrN3OS/c1-7-5-6-8-3-2-4-9(10(8)14-7)17-12-16-15-11(13)18-12/h2-6H,1H3
InChIKeyOAXIHDDXQOFRLE-UHFFFAOYSA-N
XLogP3.95
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole (CID 64623654) is 2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole is Cc1ccc2cccc(Oc3nnc(Br)s3)c2n1.
What is the InChIKey of 2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole?
The InChIKey is OAXIHDDXQOFRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3OS/c1-7-5-6-8-3-2-4-9(10(8)14-7)17-12-16-15-11(13)18-12/h2-6H,1H3.
What are the key properties of 2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole?
2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole has a molecular weight of 322.19 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole is sourced from PubChem (CID 64623654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).