3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide

C17H17N3O2S — CID 170506052

IUPAC3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide
SMILESCCOc1ccc2nc(Nc3cc(C(N)=O)ccc3C)sc2c1
InChIInChI=1S/C17H17N3O2S/c1-3-22-12-6-7-13-15(9-12)23-17(19-13)20-14-8-11(16(18)21)5-4-10(14)2/h4-9H,3H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyZYDKACPOXDMSRB-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.85
Rot. Bonds5

About 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide

3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide (PubChem CID 170506052) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide
PubChem CID170506052
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide
SMILESCCOc1ccc2nc(Nc3cc(C(N)=O)ccc3C)sc2c1
InChIInChI=1S/C17H17N3O2S/c1-3-22-12-6-7-13-15(9-12)23-17(19-13)20-14-8-11(16(18)21)5-4-10(14)2/h4-9H,3H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyZYDKACPOXDMSRB-UHFFFAOYSA-N
XLogP3.85
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 7573756
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
CID 3926238
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
1-methyl-2-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide
CID 134445451
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908770
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid
CID 62206527

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide?
The IUPAC name of 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide (CID 170506052) is 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide.
What is the SMILES notation for 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide?
The canonical SMILES for 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide is CCOc1ccc2nc(Nc3cc(C(N)=O)ccc3C)sc2c1.
What is the InChIKey of 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide?
The InChIKey is ZYDKACPOXDMSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-22-12-6-7-13-15(9-12)23-17(19-13)20-14-8-11(16(18)21)5-4-10(14)2/h4-9H,3H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide?
3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide has a molecular weight of 327.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide is sourced from PubChem (CID 170506052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).