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

C12H7BrN2S — CID 79399448

IUPAC4-bromo-2-quinolin-3-yl-1,3-thiazole
SMILESBrc1csc(-c2cnc3ccccc3c2)n1
InChIInChI=1S/C12H7BrN2S/c13-11-7-16-12(15-11)9-5-8-3-1-2-4-10(8)14-6-9/h1-7H
InChIKeySHYYRPYYHDDWJG-UHFFFAOYSA-N
MW291.17 g/mol
LogP4.12
Rot. Bonds1

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

4-bromo-2-quinolin-3-yl-1,3-thiazole (PubChem CID 79399448) has the molecular formula C12H7BrN2S and a molecular weight of 291.17 g/mol. Its IUPAC name is 4-bromo-2-quinolin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-quinolin-3-yl-1,3-thiazole
PubChem CID79399448
Molecular FormulaC12H7BrN2S
Molecular Weight291.17 g/mol
Exact Mass289.95
IUPAC Name4-bromo-2-quinolin-3-yl-1,3-thiazole
SMILESBrc1csc(-c2cnc3ccccc3c2)n1
InChIInChI=1S/C12H7BrN2S/c13-11-7-16-12(15-11)9-5-8-3-1-2-4-10(8)14-6-9/h1-7H
InChIKeySHYYRPYYHDDWJG-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

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CID 81221650
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CID 10081720
2-quinolin-3-ylaniline
CID 4134401
3-bromoquinoline;hydrobromide
CID 70190019
3-(1H-pyrazol-5-yl)quinoline
CID 22660698
3-(5-bromo-2-methoxy-4-pyridinyl)quinoline
CID 12012242
2-quinolin-3-yl-1,3-benzothiazin-4-one
CID 59750384
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
3-(2,6-dichloro-4-pyridinyl)quinoline
CID 86078303
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-anthracen-9-ylquinoline
CID 170654314

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-quinolin-3-yl-1,3-thiazole?
The IUPAC name of 4-bromo-2-quinolin-3-yl-1,3-thiazole (CID 79399448) is 4-bromo-2-quinolin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-quinolin-3-yl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-quinolin-3-yl-1,3-thiazole is Brc1csc(-c2cnc3ccccc3c2)n1.
What is the InChIKey of 4-bromo-2-quinolin-3-yl-1,3-thiazole?
The InChIKey is SHYYRPYYHDDWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2S/c13-11-7-16-12(15-11)9-5-8-3-1-2-4-10(8)14-6-9/h1-7H.
What are the key properties of 4-bromo-2-quinolin-3-yl-1,3-thiazole?
4-bromo-2-quinolin-3-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-3-yl-1,3-thiazole is sourced from PubChem (CID 79399448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).