6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine

C15H15BrN2S — CID 67438719

IUPAC6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine
SMILESBrc1ccc2nc(-c3ccccc3)sc2c1.CNC
InChIInChI=1S/C13H8BrNS.C2H7N/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9;1-3-2/h1-8H;3H,1-2H3
InChIKeyLLVQNSUHVSBUPE-UHFFFAOYSA-N
MW335.27 g/mol
LogP4.56
Rot. Bonds1

About 6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine

6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine (PubChem CID 67438719) has the molecular formula C15H15BrN2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine.

Molecular Properties

Compound Name6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine
PubChem CID67438719
Molecular FormulaC15H15BrN2S
Molecular Weight335.27 g/mol
Exact Mass334.01
IUPAC Name6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine
SMILESBrc1ccc2nc(-c3ccccc3)sc2c1.CNC
InChIInChI=1S/C13H8BrNS.C2H7N/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9;1-3-2/h1-8H;3H,1-2H3
InChIKeyLLVQNSUHVSBUPE-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine 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

6-bromo-2-(1-methylpyridin-1-ium-4-yl)-1,3-benzothiazole
CID 100817889
4-(6-bromo-1,3-benzothiazol-2-yl)-2-methylaniline;ethane
CID 142943002
6-ethyl-2-phenyl-1,3-benzothiazole
CID 54858915
6-bromo-2-(1-ethylpyridin-1-ium-4-yl)-1,3-benzothiazole iodide
CID 102552436
6-bromo-2-(1-propylpyridin-1-ium-4-yl)-1,3-benzothiazole iodide
CID 102552437
6-bromo-2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzothiazole
CID 67404846
2-(3-bromophenyl)-6-chloro-1,3-benzothiazole
CID 95910629
6-bromo-2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazole
CID 91678559
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-phenyl-6-(2-phenylethynyl)-1,3-benzothiazole
CID 90444281
(2-phenyl-1,3-benzothiazol-6-yl)boronic acid
CID 131531853
2-(6-bromo-9,10-diphenylanthracen-2-yl)-1,3-benzothiazole
CID 142722326

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine?
The IUPAC name of 6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine (CID 67438719) is 6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine.
What is the SMILES notation for 6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine?
The canonical SMILES for 6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine is Brc1ccc2nc(-c3ccccc3)sc2c1.CNC.
What is the InChIKey of 6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine?
The InChIKey is LLVQNSUHVSBUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNS.C2H7N/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9;1-3-2/h1-8H;3H,1-2H3.
What are the key properties of 6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine?
6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine has a molecular weight of 335.27 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine is sourced from PubChem (CID 67438719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).