N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide

C18H18N2O2S — CID 2834320

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
SMILESCCOc1ccc2nc(NC(=O)c3cc(C)cc(C)c3)sc2c1
InChIInChI=1S/C18H18N2O2S/c1-4-22-14-5-6-15-16(10-14)23-18(19-15)20-17(21)13-8-11(2)7-12(3)9-13/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyLXCUVTZSKBTFBP-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.56
Rot. Bonds4

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide (PubChem CID 2834320) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
PubChem CID2834320
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
SMILESCCOc1ccc2nc(NC(=O)c3cc(C)cc(C)c3)sc2c1
InChIInChI=1S/C18H18N2O2S/c1-4-22-14-5-6-15-16(10-14)23-18(19-15)20-17(21)13-8-11(2)7-12(3)9-13/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyLXCUVTZSKBTFBP-UHFFFAOYSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
[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
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
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
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094
6-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 78859276
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide (CID 2834320) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide is CCOc1ccc2nc(NC(=O)c3cc(C)cc(C)c3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide?
The InChIKey is LXCUVTZSKBTFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-4-22-14-5-6-15-16(10-14)23-18(19-15)20-17(21)13-8-11(2)7-12(3)9-13/h5-10H,4H2,1-3H3,(H,19,20,21).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide has a molecular weight of 326.42 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide is sourced from PubChem (CID 2834320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).