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

C15H12BrN3OS — CID 61091774

IUPAC3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(Br)c(N)c3)sc2c1
InChIInChI=1S/C15H12BrN3OS/c1-8-2-5-12-13(6-8)21-15(18-12)19-14(20)9-3-4-10(16)11(17)7-9/h2-7H,17H2,1H3,(H,18,19,20)
InChIKeySOPIOYFOYPFVRO-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.20
Rot. Bonds2

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

3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 61091774) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID61091774
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(Br)c(N)c3)sc2c1
InChIInChI=1S/C15H12BrN3OS/c1-8-2-5-12-13(6-8)21-15(18-12)19-14(20)9-3-4-10(16)11(17)7-9/h2-7H,17H2,1H3,(H,18,19,20)
InChIKeySOPIOYFOYPFVRO-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 3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-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

4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103830434
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 46484893
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 107951417
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 5182181
6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151807
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104740830
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 61091774) is 3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2nc(NC(=O)c3ccc(Br)c(N)c3)sc2c1.
What is the InChIKey of 3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is SOPIOYFOYPFVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-8-2-5-12-13(6-8)21-15(18-12)19-14(20)9-3-4-10(16)11(17)7-9/h2-7H,17H2,1H3,(H,18,19,20).
What are the key properties of 3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-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 3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 61091774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).