N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide

C14H9BrClN3OS — CID 91680546

IUPACN-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide
SMILESNc1nc2c(Br)cc(NC(=O)c3ccccc3Cl)cc2s1
InChIInChI=1S/C14H9BrClN3OS/c15-9-5-7(6-11-12(9)19-14(17)21-11)18-13(20)8-3-1-2-4-10(8)16/h1-6H,(H2,17,19)(H,18,20)
InChIKeyWXUABIGDRPBBMU-UHFFFAOYSA-N
MW382.67 g/mol
LogP4.55
Rot. Bonds2

About N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide

N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide (PubChem CID 91680546) has the molecular formula C14H9BrClN3OS and a molecular weight of 382.67 g/mol. Its IUPAC name is N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide
PubChem CID91680546
Molecular FormulaC14H9BrClN3OS
Molecular Weight382.67 g/mol
Exact Mass380.93
IUPAC NameN-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide
SMILESNc1nc2c(Br)cc(NC(=O)c3ccccc3Cl)cc2s1
InChIInChI=1S/C14H9BrClN3OS/c15-9-5-7(6-11-12(9)19-14(17)21-11)18-13(20)8-3-1-2-4-10(8)16/h1-6H,(H2,17,19)(H,18,20)
InChIKeyWXUABIGDRPBBMU-UHFFFAOYSA-N
XLogP4.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.67
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide 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-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
CID 91680662
(E)-N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
CID 91680996
N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 7202712
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
CID 91680533
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 91681034
N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 91680677
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 91680781
2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
CID 50882049
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 91680783
2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
CID 91680506
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
CID 91680564
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methoxynaphthalene-2-carboxamide
CID 91680985

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide?
The IUPAC name of N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide (CID 91680546) is N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide?
The canonical SMILES for N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide is Nc1nc2c(Br)cc(NC(=O)c3ccccc3Cl)cc2s1.
What is the InChIKey of N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide?
The InChIKey is WXUABIGDRPBBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3OS/c15-9-5-7(6-11-12(9)19-14(17)21-11)18-13(20)8-3-1-2-4-10(8)16/h1-6H,(H2,17,19)(H,18,20).
What are the key properties of N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide?
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide has a molecular weight of 382.67 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide is sourced from PubChem (CID 91680546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).