N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide

C23H20N2O3S — CID 3324697

IUPACN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
SMILESCOc1cc(OC)c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1
InChIInChI=1S/C23H20N2O3S/c1-27-17-13-18(28-2)21-19(14-17)29-23(24-21)25-22(26)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,20H,1-2H3,(H,24,25,26)
InChIKeyPAUUBAKOWIGIJH-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.08
Rot. Bonds6

About N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide

N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide (PubChem CID 3324697) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
PubChem CID3324697
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
SMILESCOc1cc(OC)c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1
InChIInChI=1S/C23H20N2O3S/c1-27-17-13-18(28-2)21-19(14-17)29-23(24-21)25-22(26)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,20H,1-2H3,(H,24,25,26)
InChIKeyPAUUBAKOWIGIJH-UHFFFAOYSA-N
XLogP5.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260
N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide
CID 3297361
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 3315557
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 3493292
4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 82105841
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide
CID 5023943
(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 845796
N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 164625974

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide (CID 3324697) is N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide is COc1cc(OC)c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1.
What is the InChIKey of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide?
The InChIKey is PAUUBAKOWIGIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-27-17-13-18(28-2)21-19(14-17)29-23(24-21)25-22(26)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,20H,1-2H3,(H,24,25,26).
What are the key properties of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide?
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide has a molecular weight of 404.49 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 3324697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).