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

C9H6BrClN2OS — CID 2384252

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
SMILESO=C(CCl)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C9H6BrClN2OS/c10-5-1-2-6-7(3-5)15-9(12-6)13-8(14)4-11/h1-3H,4H2,(H,12,13,14)
InChIKeyKXPBQZGBHBXROK-UHFFFAOYSA-N
MW305.58 g/mol
LogP3.24
Rot. Bonds2

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

N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide (PubChem CID 2384252) has the molecular formula C9H6BrClN2OS and a molecular weight of 305.58 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
PubChem CID2384252
Molecular FormulaC9H6BrClN2OS
Molecular Weight305.58 g/mol
Exact Mass303.91
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
SMILESO=C(CCl)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C9H6BrClN2OS/c10-5-1-2-6-7(3-5)15-9(12-6)13-8(14)4-11/h1-3H,4H2,(H,12,13,14)
InChIKeyKXPBQZGBHBXROK-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide 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-(6-bromo-1,3-benzothiazol-2-yl)hexanamide
CID 5058354
N-(6-bromo-1,3-benzothiazol-2-yl)undecanamide
CID 3680692
N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 41151948
N-(6-bromo-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylpropanamide
CID 170553043
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 4133136
N-[6-[(2-chloroacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 141458638
N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide
CID 5176965
N-(6-bromo-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 3315961
2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
CID 17244664
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145741
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
CID 118657880
N-(6-bromo-1,3-benzothiazol-2-yl)but-2-enamide
CID 5196621

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide (CID 2384252) is N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide is O=C(CCl)Nc1nc2ccc(Br)cc2s1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide?
The InChIKey is KXPBQZGBHBXROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2OS/c10-5-1-2-6-7(3-5)15-9(12-6)13-8(14)4-11/h1-3H,4H2,(H,12,13,14).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide has a molecular weight of 305.58 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide is sourced from PubChem (CID 2384252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).