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

C21H15BrN2OS — CID 4162371

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15BrN2OS/c22-16-11-12-17-18(13-16)26-21(23-17)24-20(25)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,23,24,25)
InChIKeyOMVPNBCDERTGTH-UHFFFAOYSA-N
MW423.34 g/mol
LogP5.83
Rot. Bonds4

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

N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide (PubChem CID 4162371) has the molecular formula C21H15BrN2OS and a molecular weight of 423.34 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
PubChem CID4162371
Molecular FormulaC21H15BrN2OS
Molecular Weight423.34 g/mol
Exact Mass422.01
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15BrN2OS/c22-16-11-12-17-18(13-16)26-21(23-17)24-20(25)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,23,24,25)
InChIKeyOMVPNBCDERTGTH-UHFFFAOYSA-N
XLogP5.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.34
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 164625974
N-(6-nitro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 2433919
(2S)-2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 28663164
2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
CID 17244664
N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide
CID 4102491
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide
CID 4681786
N-(6-bromo-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 3315961
(2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 29048022
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 4133136
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252
[(6-bromo-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid
CID 23907634
N-(6-bromo-1,3-benzothiazol-2-yl)but-2-enamide
CID 5196621

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide (CID 4162371) is N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide is O=C(Nc1nc2ccc(Br)cc2s1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide?
The InChIKey is OMVPNBCDERTGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2OS/c22-16-11-12-17-18(13-16)26-21(23-17)24-20(25)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,23,24,25).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide has a molecular weight of 423.34 g/mol, XLogP of 5.83, 4 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-diphenylacetamide is sourced from PubChem (CID 4162371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).