3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide

C13H13BrN2O3S — CID 15943256

IUPAC3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2nccs2)cc1Br
InChIInChI=1S/C13H13BrN2O3S/c1-18-5-6-19-11-3-2-9(8-10(11)14)12(17)16-13-15-4-7-20-13/h2-4,7-8H,5-6H2,1H3,(H,15,16,17)
InChIKeyHDIGZOBBPJOHBK-UHFFFAOYSA-N
MW357.23 g/mol
LogP3.18
Rot. Bonds6

About 3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide

3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 15943256) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID15943256
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2nccs2)cc1Br
InChIInChI=1S/C13H13BrN2O3S/c1-18-5-6-19-11-3-2-9(8-10(11)14)12(17)16-13-15-4-7-20-13/h2-4,7-8H,5-6H2,1H3,(H,15,16,17)
InChIKeyHDIGZOBBPJOHBK-UHFFFAOYSA-N
XLogP3.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346
5-bromo-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 15943059
4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666591
3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 18105275
3-ethoxy-4-(2-phenoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 2472295
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 4797157
3-bromo-N-[4-[[4-[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]phenyl]methyl]phenyl]-4-(2-methoxyethoxy)benzamide
CID 17357137
4-amino-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 86046967
4-(2-bromo-4-tert-butylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 19202115
3-bromo-4-butoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4956064
N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17234914

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide (CID 15943256) is 3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide is COCCOc1ccc(C(=O)Nc2nccs2)cc1Br.
What is the InChIKey of 3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is HDIGZOBBPJOHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-18-5-6-19-11-3-2-9(8-10(11)14)12(17)16-13-15-4-7-20-13/h2-4,7-8H,5-6H2,1H3,(H,15,16,17).
What are the key properties of 3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide?
3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 357.23 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 15943256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).