(2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide

C15H19BrN2OS — CID 28662655

IUPAC(2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide
SMILESCCCC[C@@H](Br)C(=O)Nc1nc2c(C)cc(C)cc2s1
InChIInChI=1S/C15H19BrN2OS/c1-4-5-6-11(16)14(19)18-15-17-13-10(3)7-9(2)8-12(13)20-15/h7-8,11H,4-6H2,1-3H3,(H,17,18,19)/t11-/m1/s1
InChIKeyHPYFWCVCXOGWHF-LLVKDONJSA-N
MW355.30 g/mol
LogP4.81
Rot. Bonds5

About (2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide

(2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide (PubChem CID 28662655) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is (2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide
PubChem CID28662655
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name(2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide
SMILESCCCC[C@@H](Br)C(=O)Nc1nc2c(C)cc(C)cc2s1
InChIInChI=1S/C15H19BrN2OS/c1-4-5-6-11(16)14(19)18-15-17-13-10(3)7-9(2)8-12(13)20-15/h7-8,11H,4-6H2,1-3H3,(H,17,18,19)/t11-/m1/s1
InChIKeyHPYFWCVCXOGWHF-LLVKDONJSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.81
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-(4,6-dibromo-1,3-benzothiazol-2-yl)hexanamide
CID 28662706
(2S)-2-bromo-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)hexanamide
CID 28662774
2-bromo-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)hexanamide
CID 17244777
(2S)-2-bromo-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)hexanamide
CID 28662731
(2R)-2-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 28662156
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315
2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 24644803
(2R)-2-bromo-N-(6-bromo-4,7-dimethyl-1,3-benzothiazol-2-yl)pentanamide
CID 28662422
ethyl 2-(2-bromohexanoylamino)-1,3-benzothiazole-6-carboxylate
CID 17244792
(2S)-2-bromo-N-(4-bromo-6,7-dimethyl-1,3-benzothiazol-2-yl)pentanamide
CID 28662435
(2S)-2-bromo-N-(6-chloro-4-propan-2-yl-1,3-benzothiazol-2-yl)pentanamide
CID 28662530
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide?
The IUPAC name of (2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide (CID 28662655) is (2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide.
What is the SMILES notation for (2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide?
The canonical SMILES for (2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide is CCCC[C@@H](Br)C(=O)Nc1nc2c(C)cc(C)cc2s1.
What is the InChIKey of (2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide?
The InChIKey is HPYFWCVCXOGWHF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-4-5-6-11(16)14(19)18-15-17-13-10(3)7-9(2)8-12(13)20-15/h7-8,11H,4-6H2,1-3H3,(H,17,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide?
(2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide has a molecular weight of 355.30 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide is sourced from PubChem (CID 28662655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).