N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide

C18H18N2O2S — CID 3344551

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
SMILESCCOc1cccc2sc(NC(=O)c3cc(C)ccc3C)nc12
InChIInChI=1S/C18H18N2O2S/c1-4-22-14-6-5-7-15-16(14)19-18(23-15)20-17(21)13-10-11(2)8-9-12(13)3/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyRWHSKHLKDIMXLS-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.56
Rot. Bonds4

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide (PubChem CID 3344551) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
PubChem CID3344551
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
SMILESCCOc1cccc2sc(NC(=O)c3cc(C)ccc3C)nc12
InChIInChI=1S/C18H18N2O2S/c1-4-22-14-6-5-7-15-16(14)19-18(23-15)20-17(21)13-10-11(2)8-9-12(13)3/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyRWHSKHLKDIMXLS-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-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3575126
2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3431686
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7578411
1-(2,4-dimethylphenyl)-2-[(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone
CID 19214458
N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 958996
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitrobenzamide
CID 19214372
5-(diethylsulfamoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 46813269
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544064
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide (CID 3344551) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide is CCOc1cccc2sc(NC(=O)c3cc(C)ccc3C)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide?
The InChIKey is RWHSKHLKDIMXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-4-22-14-6-5-7-15-16(14)19-18(23-15)20-17(21)13-10-11(2)8-9-12(13)3/h5-10H,4H2,1-3H3,(H,19,20,21).
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-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-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide is sourced from PubChem (CID 3344551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).