N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide

C16H14BrN3OS — CID 50880143

IUPACN-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide
SMILESCc1cc2nc(N)sc2c(C)c1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3OS/c1-8-7-12-14(22-16(18)19-12)9(2)13(8)20-15(21)10-3-5-11(17)6-4-10/h3-7H,1-2H3,(H2,18,19)(H,20,21)
InChIKeyQKTHXXQNIUXAET-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.51
Rot. Bonds2

About N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide

N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide (PubChem CID 50880143) has the molecular formula C16H14BrN3OS and a molecular weight of 376.28 g/mol. Its IUPAC name is N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide.

Molecular Properties

Compound NameN-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide
PubChem CID50880143
Molecular FormulaC16H14BrN3OS
Molecular Weight376.28 g/mol
Exact Mass375.00
IUPAC NameN-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide
SMILESCc1cc2nc(N)sc2c(C)c1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3OS/c1-8-7-12-14(22-16(18)19-12)9(2)13(8)20-15(21)10-3-5-11(17)6-4-10/h3-7H,1-2H3,(H2,18,19)(H,20,21)
InChIKeyQKTHXXQNIUXAET-UHFFFAOYSA-N
XLogP4.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide 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

N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
CID 50879832
N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
CID 50880720
4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide
CID 50880365
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635
N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide
CID 50881024
N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide
CID 43548126
N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-5,7-dimethyl-1,3-benzothiazol-6-yl]-4-ethylbenzamide
CID 50880234
N-[2-(3,5-dimethylpyrazol-1-yl)-5,7-dimethyl-1,3-benzothiazol-6-yl]-4-ethylbenzamide
CID 50880375
N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 50880791
N-[5,7-dimethyl-2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]-4-propan-2-yloxybenzamide
CID 50880662
N-[2-(3,5-dimethylpyrazol-1-yl)-5,7-dimethyl-1,3-benzothiazol-6-yl]-4-ethoxybenzamide
CID 50880683
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide?
The IUPAC name of N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide (CID 50880143) is N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide.
What is the SMILES notation for N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide?
The canonical SMILES for N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide is Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide?
The InChIKey is QKTHXXQNIUXAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3OS/c1-8-7-12-14(22-16(18)19-12)9(2)13(8)20-15(21)10-3-5-11(17)6-4-10/h3-7H,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide?
N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide has a molecular weight of 376.28 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide is sourced from PubChem (CID 50880143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).