[2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

C12H9BrN2O3S — CID 11609814

IUPAC[2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C12H9BrN2O3S/c1-7(16)18-9-5-3-2-4-8(9)11(17)15-12-14-6-10(13)19-12/h2-6H,1H3,(H,14,15,17)
InChIKeyDXSXMMYSTLIFRS-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.08
Rot. Bonds3

About [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

[2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (PubChem CID 11609814) has the molecular formula C12H9BrN2O3S and a molecular weight of 341.19 g/mol. Its IUPAC name is [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
PubChem CID11609814
Molecular FormulaC12H9BrN2O3S
Molecular Weight341.19 g/mol
Exact Mass339.95
IUPAC Name[2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C12H9BrN2O3S/c1-7(16)18-9-5-3-2-4-8(9)11(17)15-12-14-6-10(13)19-12/h2-6H,1H3,(H,14,15,17)
InChIKeyDXSXMMYSTLIFRS-UHFFFAOYSA-N
XLogP3.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Nitazoxanide
CID 41684
4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide
CID 11681176
2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2558548
2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
CID 669871
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
[2-[(5-Chlorothiazol-2-yl)carbamoyl]-6-methyl-phenyl] acetate
CID 11673989
N-(5-bromothiazol-2-yl)-2-hydroxy-benzamide
CID 24757917
Ethyl [2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] carbonate
CID 50908054
2-(Acetyloxy)-N-(5-chloro-2-thiazolyl)benzamide
CID 53309690
2-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 652520
4-Ethoxy-N-(1,3-thiazol-2-YL)benzamide
CID 803176

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The IUPAC name of [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (CID 11609814) is [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1ncc(Br)s1.
What is the InChIKey of [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The InChIKey is DXSXMMYSTLIFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3S/c1-7(16)18-9-5-3-2-4-8(9)11(17)15-12-14-6-10(13)19-12/h2-6H,1H3,(H,14,15,17).
What are the key properties of [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
[2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate has a molecular weight of 341.19 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 11609814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).