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

C16H13BrN2O2S — CID 3431686

IUPAC2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1cccc2sc(NC(=O)c3ccccc3Br)nc12
InChIInChI=1S/C16H13BrN2O2S/c1-2-21-12-8-5-9-13-14(12)18-16(22-13)19-15(20)10-6-3-4-7-11(10)17/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyJWLIXYWMCXVRSD-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.71
Rot. Bonds4

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

2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 3431686) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is 2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID3431686
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC Name2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1cccc2sc(NC(=O)c3ccccc3Br)nc12
InChIInChI=1S/C16H13BrN2O2S/c1-2-21-12-8-5-9-13-14(12)18-16(22-13)19-15(20)10-6-3-4-7-11(10)17/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyJWLIXYWMCXVRSD-UHFFFAOYSA-N
XLogP4.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7578411
2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615172
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3344551
N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 958996
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701
N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 7202712
2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 19214384
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 3431686) is 2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1cccc2sc(NC(=O)c3ccccc3Br)nc12.
What is the InChIKey of 2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is JWLIXYWMCXVRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-2-21-12-8-5-9-13-14(12)18-16(22-13)19-15(20)10-6-3-4-7-11(10)17/h3-9H,2H2,1H3,(H,18,19,20).
What are the key properties of 2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 377.26 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 3431686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).