N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide

C15H11BrN2OS — CID 103706834

IUPACN-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C15H11BrN2OS/c1-9-11(3-2-4-12(9)16)15(19)18-10-5-6-13-14(7-10)20-8-17-13/h2-8H,1H3,(H,18,19)
InChIKeyNPJILLOZBKLTGS-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.62
Rot. Bonds2

About N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide

N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide (PubChem CID 103706834) has the molecular formula C15H11BrN2OS and a molecular weight of 347.24 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide
PubChem CID103706834
Molecular FormulaC15H11BrN2OS
Molecular Weight347.24 g/mol
Exact Mass345.98
IUPAC NameN-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C15H11BrN2OS/c1-9-11(3-2-4-12(9)16)15(19)18-10-5-6-13-14(7-10)20-8-17-13/h2-8H,1H3,(H,18,19)
InChIKeyNPJILLOZBKLTGS-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide 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

3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
CID 107802503
2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 107802478
N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide
CID 18585483
3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79035679
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide
CID 103893877
5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide
CID 107802448
N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
CID 107801394
3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide
CID 107575045
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide
CID 103706835
N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide
CID 104938868

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide (CID 103706834) is N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide is Cc1c(Br)cccc1C(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide?
The InChIKey is NPJILLOZBKLTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS/c1-9-11(3-2-4-12(9)16)15(19)18-10-5-6-13-14(7-10)20-8-17-13/h2-8H,1H3,(H,18,19).
What are the key properties of N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide?
N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide has a molecular weight of 347.24 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide is sourced from PubChem (CID 103706834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).