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

C12H13BrN2OS — CID 4133136

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C12H13BrN2OS/c1-12(2,3)10(16)15-11-14-8-5-4-7(13)6-9(8)17-11/h4-6H,1-3H3,(H,14,15,16)
InChIKeyASIDPGVQMDZCAP-UHFFFAOYSA-N
MW313.22 g/mol
LogP4.04
Rot. Bonds1

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

N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide (PubChem CID 4133136) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
PubChem CID4133136
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C12H13BrN2OS/c1-12(2,3)10(16)15-11-14-8-5-4-7(13)6-9(8)17-11/h4-6H,1-3H3,(H,14,15,16)
InChIKeyASIDPGVQMDZCAP-UHFFFAOYSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide
CID 51370683
2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
CID 17244664
N-(6-bromo-1,3-benzothiazol-2-yl)but-2-enamide
CID 5196621
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252
(2S)-2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 28663164
2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244819
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
CID 118657880
[(6-bromo-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid
CID 23907634
N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide
CID 5058354
2-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244835
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 4162371
1-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 35279656

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide (CID 4133136) is N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc2ccc(Br)cc2s1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide?
The InChIKey is ASIDPGVQMDZCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-12(2,3)10(16)15-11-14-8-5-4-7(13)6-9(8)17-11/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide has a molecular weight of 313.22 g/mol, XLogP of 4.04, 1 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 4133136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).