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

C13H15BrN2OS — CID 5058354

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)hexanamide
SMILESCCCCCC(=O)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C13H15BrN2OS/c1-2-3-4-5-12(17)16-13-15-10-7-6-9(14)8-11(10)18-13/h6-8H,2-5H2,1H3,(H,15,16,17)
InChIKeyUUGOCTAKYWWOBV-UHFFFAOYSA-N
MW327.25 g/mol
LogP4.58
Rot. Bonds5

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

N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide (PubChem CID 5058354) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)hexanamide
PubChem CID5058354
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)hexanamide
SMILESCCCCCC(=O)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C13H15BrN2OS/c1-2-3-4-5-12(17)16-13-15-10-7-6-9(14)8-11(10)18-13/h6-8H,2-5H2,1H3,(H,15,16,17)
InChIKeyUUGOCTAKYWWOBV-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)undecanamide
CID 3680692
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide
CID 4674921
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252
4-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
CID 16823694
N-(6-bromo-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanylbutanamide
CID 41086909
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]octanamide
CID 5081796
N-(6-bromo-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylpropanamide
CID 170553043
6-bromo-N-octyl-1,3-benzothiazol-2-amine
CID 115569155
N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide
CID 5176965
N-(6-bromo-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 3315961
4-(4-bromophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 7919920
2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
CID 17244664

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide (CID 5058354) is N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide is CCCCCC(=O)Nc1nc2ccc(Br)cc2s1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide?
The InChIKey is UUGOCTAKYWWOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-2-3-4-5-12(17)16-13-15-10-7-6-9(14)8-11(10)18-13/h6-8H,2-5H2,1H3,(H,15,16,17).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide?
N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide has a molecular weight of 327.25 g/mol, XLogP of 4.58, 5 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)hexanamide is sourced from PubChem (CID 5058354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).