N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide

C21H16N2O3S — CID 164625974

IUPACN-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1nc2cc(O)c(O)cc2s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O3S/c24-16-11-15-18(12-17(16)25)27-21(22-15)23-20(26)19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19,24-25H,(H,22,23,26)
InChIKeyNLAWXYMTUMBOBQ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.48
Rot. Bonds4

About N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide

N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide (PubChem CID 164625974) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
PubChem CID164625974
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1nc2cc(O)c(O)cc2s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O3S/c24-16-11-15-18(12-17(16)25)27-21(22-15)23-20(26)19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19,24-25H,(H,22,23,26)
InChIKeyNLAWXYMTUMBOBQ-UHFFFAOYSA-N
XLogP4.48
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 4162371
N-(6-nitro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 2433919
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
(2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 29048022
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 3324697
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide
CID 59232733
(2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide
CID 940434
2-[2-(2-methylpropanoylamino)-1,3-benzothiazol-6-yl]acetic acid
CID 29247596
N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 57299473
[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl] acetate
CID 2933835
N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 5211016

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide (CID 164625974) is N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide is O=C(Nc1nc2cc(O)c(O)cc2s1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide?
The InChIKey is NLAWXYMTUMBOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-16-11-15-18(12-17(16)25)27-21(22-15)23-20(26)19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19,24-25H,(H,22,23,26).
What are the key properties of N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide?
N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide has a molecular weight of 376.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 164625974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).