2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole

C16H13BrN2S — CID 90202599

IUPAC2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole
SMILESBrc1ccc2ncc(-c3nc(C4CCC4)cs3)cc2c1
InChIInChI=1S/C16H13BrN2S/c17-13-4-5-14-11(7-13)6-12(8-18-14)16-19-15(9-20-16)10-2-1-3-10/h4-10H,1-3H2
InChIKeyGJHJOJBZTSRFTP-UHFFFAOYSA-N
MW345.27 g/mol
LogP5.39
Rot. Bonds2

About 2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole

2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole (PubChem CID 90202599) has the molecular formula C16H13BrN2S and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole.

Molecular Properties

Compound Name2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole
PubChem CID90202599
Molecular FormulaC16H13BrN2S
Molecular Weight345.27 g/mol
Exact Mass344.00
IUPAC Name2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole
SMILESBrc1ccc2ncc(-c3nc(C4CCC4)cs3)cc2c1
InChIInChI=1S/C16H13BrN2S/c17-13-4-5-14-11(7-13)6-12(8-18-14)16-19-15(9-20-16)10-2-1-3-10/h4-10H,1-3H2
InChIKeyGJHJOJBZTSRFTP-UHFFFAOYSA-N
XLogP5.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.27
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole?
The IUPAC name of 2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole (CID 90202599) is 2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole.
What is the SMILES notation for 2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole?
The canonical SMILES for 2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole is Brc1ccc2ncc(-c3nc(C4CCC4)cs3)cc2c1.
What is the InChIKey of 2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole?
The InChIKey is GJHJOJBZTSRFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2S/c17-13-4-5-14-11(7-13)6-12(8-18-14)16-19-15(9-20-16)10-2-1-3-10/h4-10H,1-3H2.
What are the key properties of 2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole?
2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole has a molecular weight of 345.27 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinolin-3-yl)-4-cyclobutyl-1,3-thiazole is sourced from PubChem (CID 90202599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).