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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Related Compounds

2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole
CID 90202215
4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine
CID 116888872
4-bromo-2-quinolin-3-yl-1,3-thiazole
CID 79399448
2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide
CID 90202234
4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole
CID 131084886
2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 116888662
2-[2-(3-bromophenyl)ethynyl]-4-cyclobutyl-1,3-thiazole
CID 139773659
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole
CID 112690258
4-cyclobutyl-2-pyridazin-3-yl-1,3-thiazole
CID 166252114
5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine
CID 55145590
3-(4-cyclopropyl-1,3-thiazol-2-yl)benzoic acid
CID 63903085
4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole
CID 116506859

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).