5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide

C16H12BrClN2O2S — CID 54783487

IUPAC5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C16H12BrClN2O2S/c1-2-22-13-6-3-9(17)7-11(13)15(21)20-16-19-12-5-4-10(18)8-14(12)23-16/h3-8H,2H2,1H3,(H,19,20,21)
InChIKeyLFYOWPNZJWEHML-UHFFFAOYSA-N
MW411.71 g/mol
LogP5.36
Rot. Bonds4

About 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide

5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide (PubChem CID 54783487) has the molecular formula C16H12BrClN2O2S and a molecular weight of 411.71 g/mol. Its IUPAC name is 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide
PubChem CID54783487
Molecular FormulaC16H12BrClN2O2S
Molecular Weight411.71 g/mol
Exact Mass409.95
IUPAC Name5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C16H12BrClN2O2S/c1-2-22-13-6-3-9(17)7-11(13)15(21)20-16-19-12-5-4-10(18)8-14(12)23-16/h3-8H,2H2,1H3,(H,19,20,21)
InChIKeyLFYOWPNZJWEHML-UHFFFAOYSA-N
XLogP5.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.71
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1341416
5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-3-methylbenzamide
CID 3528425
5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 17341167
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate
CID 9320369
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
CID 118657880
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide
CID 9046618
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide
CID 130288197
5-bromo-2-chloro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
CID 17313481
N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619477
2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3249523
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide?
The IUPAC name of 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide (CID 54783487) is 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide.
What is the SMILES notation for 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide?
The canonical SMILES for 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide is CCOc1ccc(Br)cc1C(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide?
The InChIKey is LFYOWPNZJWEHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O2S/c1-2-22-13-6-3-9(17)7-11(13)15(21)20-16-19-12-5-4-10(18)8-14(12)23-16/h3-8H,2H2,1H3,(H,19,20,21).
What are the key properties of 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide?
5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide has a molecular weight of 411.71 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide is sourced from PubChem (CID 54783487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).