3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine

C15H14BrN3S — CID 116783492

IUPAC3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine
SMILESCc1nc(C(C)Nc2cccc3cc(Br)cnc23)cs1
InChIInChI=1S/C15H14BrN3S/c1-9(14-8-20-10(2)19-14)18-13-5-3-4-11-6-12(16)7-17-15(11)13/h3-9,18H,1-2H3
InChIKeySLMMGXWYBNLBLI-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.94
Rot. Bonds3

About 3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine

3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine (PubChem CID 116783492) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine
PubChem CID116783492
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC Name3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine
SMILESCc1nc(C(C)Nc2cccc3cc(Br)cnc23)cs1
InChIInChI=1S/C15H14BrN3S/c1-9(14-8-20-10(2)19-14)18-13-5-3-4-11-6-12(16)7-17-15(11)13/h3-9,18H,1-2H3
InChIKeySLMMGXWYBNLBLI-UHFFFAOYSA-N
XLogP4.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 116783435
3-bromo-N-(1-phenylethyl)quinolin-8-amine
CID 116783523
3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine
CID 116783273
3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine
CID 116783437
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
3-bromo-N-but-3-yn-2-ylquinolin-8-amine
CID 116784222
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43716043
2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43683530
4-bromo-1-N,1-N-dimethyl-2-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 43746306
2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43682979
2-bromo-5-fluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 107633286
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine?
The IUPAC name of 3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine (CID 116783492) is 3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine?
The canonical SMILES for 3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine is Cc1nc(C(C)Nc2cccc3cc(Br)cnc23)cs1.
What is the InChIKey of 3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine?
The InChIKey is SLMMGXWYBNLBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3S/c1-9(14-8-20-10(2)19-14)18-13-5-3-4-11-6-12(16)7-17-15(11)13/h3-9,18H,1-2H3.
What are the key properties of 3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine?
3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine has a molecular weight of 348.27 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine is sourced from PubChem (CID 116783492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).