4-bromo-2-quinolin-6-yl-1,3-thiazole

C12H7BrN2S — CID 81221650

IUPAC4-bromo-2-quinolin-6-yl-1,3-thiazole
SMILESBrc1csc(-c2ccc3ncccc3c2)n1
InChIInChI=1S/C12H7BrN2S/c13-11-7-16-12(15-11)9-3-4-10-8(6-9)2-1-5-14-10/h1-7H
InChIKeyUAOSZNVGZAGVCM-UHFFFAOYSA-N
MW291.17 g/mol
LogP4.12
Rot. Bonds1

About 4-bromo-2-quinolin-6-yl-1,3-thiazole

4-bromo-2-quinolin-6-yl-1,3-thiazole (PubChem CID 81221650) has the molecular formula C12H7BrN2S and a molecular weight of 291.17 g/mol. Its IUPAC name is 4-bromo-2-quinolin-6-yl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-quinolin-6-yl-1,3-thiazole
PubChem CID81221650
Molecular FormulaC12H7BrN2S
Molecular Weight291.17 g/mol
Exact Mass289.95
IUPAC Name4-bromo-2-quinolin-6-yl-1,3-thiazole
SMILESBrc1csc(-c2ccc3ncccc3c2)n1
InChIInChI=1S/C12H7BrN2S/c13-11-7-16-12(15-11)9-3-4-10-8(6-9)2-1-5-14-10/h1-7H
InChIKeyUAOSZNVGZAGVCM-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-quinolin-3-yl-1,3-thiazole
CID 79399448
3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole
CID 102943433
methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate
CID 80574366
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
4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole
CID 155230325
4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 134273339
5-quinolin-6-ylthiophene-3-carboxylic acid
CID 81224740
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
6-(3-methylphenyl)quinoline
CID 4185278
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-2-pyridinyl]quinoline
CID 122416232

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-quinolin-6-yl-1,3-thiazole?
The IUPAC name of 4-bromo-2-quinolin-6-yl-1,3-thiazole (CID 81221650) is 4-bromo-2-quinolin-6-yl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-quinolin-6-yl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-quinolin-6-yl-1,3-thiazole is Brc1csc(-c2ccc3ncccc3c2)n1.
What is the InChIKey of 4-bromo-2-quinolin-6-yl-1,3-thiazole?
The InChIKey is UAOSZNVGZAGVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2S/c13-11-7-16-12(15-11)9-3-4-10-8(6-9)2-1-5-14-10/h1-7H.
What are the key properties of 4-bromo-2-quinolin-6-yl-1,3-thiazole?
4-bromo-2-quinolin-6-yl-1,3-thiazole has a molecular weight of 291.17 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-quinolin-6-yl-1,3-thiazole is sourced from PubChem (CID 81221650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).