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

C15H12BrN3OS — CID 79703749

IUPAC2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(Br)cc3N)cc2s1
InChIInChI=1S/C15H12BrN3OS/c1-8-18-13-5-3-10(7-14(13)21-8)19-15(20)11-4-2-9(16)6-12(11)17/h2-7H,17H2,1H3,(H,19,20)
InChIKeyRPYAEBMBCDEIBX-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.20
Rot. Bonds2

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

2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 79703749) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID79703749
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(Br)cc3N)cc2s1
InChIInChI=1S/C15H12BrN3OS/c1-8-18-13-5-3-10(7-14(13)21-8)19-15(20)11-4-2-9(16)6-12(11)17/h2-7H,17H2,1H3,(H,19,20)
InChIKeyRPYAEBMBCDEIBX-UHFFFAOYSA-N
XLogP4.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide 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

2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244
2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 30152613
N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126196449
2-chloro-4,5-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 847893
2-amino-N-(1,3-benzothiazol-2-yl)-4-bromobenzamide
CID 79713852
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 4800129
2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 55350812
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 61042126

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (CID 79703749) is 2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is Cc1nc2ccc(NC(=O)c3ccc(Br)cc3N)cc2s1.
What is the InChIKey of 2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is RPYAEBMBCDEIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-8-18-13-5-3-10(7-14(13)21-8)19-15(20)11-4-2-9(16)6-12(11)17/h2-7H,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 362.25 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 79703749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).