N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide

C23H20BrN3O2S — CID 55640324

IUPACN-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(C)c2nc(N(Cc3ccccc3)C(=O)Cn3cc(Br)ccc3=O)sc2c1
InChIInChI=1S/C23H20BrN3O2S/c1-15-10-16(2)22-19(11-15)30-23(25-22)27(12-17-6-4-3-5-7-17)21(29)14-26-13-18(24)8-9-20(26)28/h3-11,13H,12,14H2,1-2H3
InChIKeyLVWACENMGUAWOO-UHFFFAOYSA-N
MW482.40 g/mol
LogP5.07
Rot. Bonds5

About N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide

N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 55640324) has the molecular formula C23H20BrN3O2S and a molecular weight of 482.40 g/mol. Its IUPAC name is N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID55640324
Molecular FormulaC23H20BrN3O2S
Molecular Weight482.40 g/mol
Exact Mass481.05
IUPAC NameN-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(C)c2nc(N(Cc3ccccc3)C(=O)Cn3cc(Br)ccc3=O)sc2c1
InChIInChI=1S/C23H20BrN3O2S/c1-15-10-16(2)22-19(11-15)30-23(25-22)27(12-17-6-4-3-5-7-17)21(29)14-26-13-18(24)8-9-20(26)28/h3-11,13H,12,14H2,1-2H3
InChIKeyLVWACENMGUAWOO-UHFFFAOYSA-N
XLogP5.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pent-4-enamide
CID 52866190
N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 7917960
N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)propanamide
CID 16549670
N-benzyl-4-(dimethylamino)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41055294
methyl 4-[benzyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 41110690
N-benzyl-4-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)butanamide
CID 4661050
N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
CID 112788534
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989757
N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4665422
2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40995860
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 30462260
4-(benzenesulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 41319134

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide (CID 55640324) is N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide is Cc1cc(C)c2nc(N(Cc3ccccc3)C(=O)Cn3cc(Br)ccc3=O)sc2c1.
What is the InChIKey of N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is LVWACENMGUAWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O2S/c1-15-10-16(2)22-19(11-15)30-23(25-22)27(12-17-6-4-3-5-7-17)21(29)14-26-13-18(24)8-9-20(26)28/h3-11,13H,12,14H2,1-2H3.
What are the key properties of N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide?
N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 482.40 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 55640324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).