4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

C18H19N3O2S — CID 3598330

IUPAC4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1
InChIInChI=1S/C18H19N3O2S/c1-4-23-14-9-10-15-16(11-14)24-18(19-15)20-17(22)12-5-7-13(8-6-12)21(2)3/h5-11H,4H2,1-3H3,(H,19,20,22)
InChIKeyLXGYKYLBYLYUKR-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.01
Rot. Bonds5

About 4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 3598330) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID3598330
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1
InChIInChI=1S/C18H19N3O2S/c1-4-23-14-9-10-15-16(11-14)24-18(19-15)20-17(22)12-5-7-13(8-6-12)21(2)3/h5-11H,4H2,1-3H3,(H,19,20,22)
InChIKeyLXGYKYLBYLYUKR-UHFFFAOYSA-N
XLogP4.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
6-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 78859276
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2117790
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417
4-[butyl(methyl)sulfamoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 4673627
4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 35996706

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 3598330) is 4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1.
What is the InChIKey of 4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is LXGYKYLBYLYUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-4-23-14-9-10-15-16(11-14)24-18(19-15)20-17(22)12-5-7-13(8-6-12)21(2)3/h5-11H,4H2,1-3H3,(H,19,20,22).
What are the key properties of 4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 341.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 3598330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).