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

C11H10Br2N2OS — CID 17244664

IUPAC2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
SMILESCCC(Br)C(=O)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C11H10Br2N2OS/c1-2-7(13)10(16)15-11-14-8-4-3-6(12)5-9(8)17-11/h3-5,7H,2H2,1H3,(H,14,15,16)
InChIKeyLCCHAKXZBPYTFN-UHFFFAOYSA-N
MW378.09 g/mol
LogP4.17
Rot. Bonds3

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

2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide (PubChem CID 17244664) has the molecular formula C11H10Br2N2OS and a molecular weight of 378.09 g/mol. Its IUPAC name is 2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
PubChem CID17244664
Molecular FormulaC11H10Br2N2OS
Molecular Weight378.09 g/mol
Exact Mass375.89
IUPAC Name2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
SMILESCCC(Br)C(=O)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C11H10Br2N2OS/c1-2-7(13)10(16)15-11-14-8-4-3-6(12)5-9(8)17-11/h3-5,7H,2H2,1H3,(H,14,15,16)
InChIKeyLCCHAKXZBPYTFN-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.09
LogP ≤ 54.17
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

(2S)-2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 28663164
ethyl 2-[[(2S)-2-bromobutanoyl]amino]-1,3-benzothiazole-6-carboxylate
CID 28662348
2-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]butanamide
CID 5061232
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 4133136
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 4162371
(2R)-2-bromo-N-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 28662257
(2R)-2-bromo-N-(6-bromo-4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide
CID 28662280
(2R)-2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)pentanamide
CID 28662479
(2S)-2-bromo-N-[6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-yl]butanamide
CID 28662332
N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide
CID 5058354
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252
N-(6-bromo-1,3-benzothiazol-2-yl)undecanamide
CID 3680692

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of 2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide (CID 17244664) is 2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for 2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide is CCC(Br)C(=O)Nc1nc2ccc(Br)cc2s1.
What is the InChIKey of 2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is LCCHAKXZBPYTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2OS/c1-2-7(13)10(16)15-11-14-8-4-3-6(12)5-9(8)17-11/h3-5,7H,2H2,1H3,(H,14,15,16).
What are the key properties of 2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide?
2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 378.09 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 17244664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).