(5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine

C15H14BrN3S — CID 115959866

IUPAC(5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
SMILESCc1nc(C(N)c2ccc(Br)c3cccnc23)sc1C
InChIInChI=1S/C15H14BrN3S/c1-8-9(2)20-15(19-8)13(17)11-5-6-12(16)10-4-3-7-18-14(10)11/h3-7,13H,17H2,1-2H3
InChIKeyBMUSXZLCBHXBJT-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.12
Rot. Bonds2

About (5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine

(5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine (PubChem CID 115959866) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is (5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
PubChem CID115959866
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC Name(5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
SMILESCc1nc(C(N)c2ccc(Br)c3cccnc23)sc1C
InChIInChI=1S/C15H14BrN3S/c1-8-9(2)20-15(19-8)13(17)11-5-6-12(16)10-4-3-7-18-14(10)11/h3-7,13H,17H2,1-2H3
InChIKeyBMUSXZLCBHXBJT-UHFFFAOYSA-N
XLogP4.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine 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-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 55108307
(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide
CID 103940793
(5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 115959894
4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol
CID 112618657
2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile
CID 112618353
N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115959884
8-bromo-5-propan-2-ylquinoline
CID 22716768
1-(5-chloroquinolin-8-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115960088
3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide
CID 112618609
3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide
CID 115960567
methyl 4-(5-bromoquinolin-8-yl)-4-hydroxy-2-methylbutanoate
CID 115960217
2-[(5-bromoquinolin-8-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 115960370

Frequently Asked Questions

What is the IUPAC name of (5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine (CID 115959866) is (5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine is Cc1nc(C(N)c2ccc(Br)c3cccnc23)sc1C.
What is the InChIKey of (5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is BMUSXZLCBHXBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3S/c1-8-9(2)20-15(19-8)13(17)11-5-6-12(16)10-4-3-7-18-14(10)11/h3-7,13H,17H2,1-2H3.
What are the key properties of (5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
(5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 348.27 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 115959866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).