2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole

C11H10BrN3S — CID 79739266

IUPAC2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole
SMILESBrc1nnc(C2CCCc3cccnc32)s1
InChIInChI=1S/C11H10BrN3S/c12-11-15-14-10(16-11)8-5-1-3-7-4-2-6-13-9(7)8/h2,4,6,8H,1,3,5H2
InChIKeyDXLSZSSKTMDYDA-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.16
Rot. Bonds1

About 2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole

2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole (PubChem CID 79739266) has the molecular formula C11H10BrN3S and a molecular weight of 296.19 g/mol. Its IUPAC name is 2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole
PubChem CID79739266
Molecular FormulaC11H10BrN3S
Molecular Weight296.19 g/mol
Exact Mass294.98
IUPAC Name2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole
SMILESBrc1nnc(C2CCCc3cccnc32)s1
InChIInChI=1S/C11H10BrN3S/c12-11-15-14-10(16-11)8-5-1-3-7-4-2-6-13-9(7)8/h2,4,6,8H,1,3,5H2
InChIKeyDXLSZSSKTMDYDA-UHFFFAOYSA-N
XLogP3.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine
CID 79739277
6-(5,6,7,8-tetrahydroquinolin-8-yl)pyridazin-3-amine
CID 79739575
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889
3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one
CID 79737986
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
5-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazin-2-amine
CID 79739845
2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
CID 79739966
3-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 79738679
2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
CID 107602849

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole (CID 79739266) is 2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole is Brc1nnc(C2CCCc3cccnc32)s1.
What is the InChIKey of 2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole?
The InChIKey is DXLSZSSKTMDYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3S/c12-11-15-14-10(16-11)8-5-1-3-7-4-2-6-13-9(7)8/h2,4,6,8H,1,3,5H2.
What are the key properties of 2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole?
2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole has a molecular weight of 296.19 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 79739266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).