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

C10H9BrN2OS — CID 60651842

IUPAC2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)CBr)cc2s1
InChIInChI=1S/C10H9BrN2OS/c1-6-12-8-3-2-7(4-9(8)15-6)13-10(14)5-11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyQMJLCIMIEQRZET-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.94
Rot. Bonds2

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

2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 60651842) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID60651842
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)CBr)cc2s1
InChIInChI=1S/C10H9BrN2OS/c1-6-12-8-3-2-7(4-9(8)15-6)13-10(14)5-11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyQMJLCIMIEQRZET-UHFFFAOYSA-N
XLogP2.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 79193199
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
CID 2550244
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64617382
2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60848317
N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide
CID 112523804
2-(1-aminocyclopentyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64685410
3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 110443255
2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 7915180
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 60651842) is 2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is Cc1nc2ccc(NC(=O)CBr)cc2s1.
What is the InChIKey of 2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is QMJLCIMIEQRZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-6-12-8-3-2-7(4-9(8)15-6)13-10(14)5-11/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 285.17 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 60651842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).