N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide

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Basic information

CAS: 190437-79-7
Standard SMILES: COc1ccc(C(=O)Nc2nc3ccccc3s2)c(OC)c1
InChIKey: OKYSLUGVEDMPMA-UHFFFAOYSA-N
Molecular formula: C16H14N2O3S
Average molar mass: 314.4 g/mol
Monoisotopic mass: 314.07251349

Names & identifiers

Preferred name: N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
IUPAC: N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide

Names & synonyms

N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide190437-79-7N-Benzothiazol-2-yl-2,4-dimethoxy-benzamideCBMicro_007674Oprea1_040392Oprea1_617742MLS001203419SCHEMBL6769684CHEMBL1430094OKYSLUGVEDMPMA-UHFFFAOYSA-NDTXSID601325530SMSF0006738

Show more names

STK094494AKOS000675622CB10495SMR000515313BIM-0007637.P0012-(2,4-dimethoxylbenzamido)-1,3-benzthiazoleN-1,3-benzothiazol-2-yl-2,4-dimethoxybenzamideAA-504/08010042

Database identifiers

CAS: 190437-79-7
PubChem CID: 788928
DTXSID: DTXSID601325530
ChEMBL: CHEMBL1430094

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 88.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 396

Experimental & physicochemical properties

Solubility1 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

2 records

New reaction record

HRID 695006As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2085362As productuspto-grants-2004_04

Compound notes

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