1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine

C15H14BrN3S — CID 115960174

IUPAC1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2ccc(Br)c3cccnc23)s1
InChIInChI=1S/C15H14BrN3S/c1-9(17-2)13-8-19-15(20-13)11-5-6-12(16)10-4-3-7-18-14(10)11/h3-9,17H,1-2H3
InChIKeyJNDCXKNCHAVPMD-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.40
Rot. Bonds3

About 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 115960174) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID115960174
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC Name1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2ccc(Br)c3cccnc23)s1
InChIInChI=1S/C15H14BrN3S/c1-9(17-2)13-8-19-15(20-13)11-5-6-12(16)10-4-3-7-18-14(10)11/h3-9,17H,1-2H3
InChIKeyJNDCXKNCHAVPMD-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 55108350
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 112618320
1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62653754
1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 82741103
1-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 81277555
N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine
CID 104823163
methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115959773
1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 102843629
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone
CID 112618305
4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine
CID 112618374
N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
CID 112617689
4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine
CID 112618640

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 115960174) is 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1cnc(-c2ccc(Br)c3cccnc23)s1.
What is the InChIKey of 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is JNDCXKNCHAVPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3S/c1-9(17-2)13-8-19-15(20-13)11-5-6-12(16)10-4-3-7-18-14(10)11/h3-9,17H,1-2H3.
What are the key properties of 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 348.27 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 115960174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).