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

C15H11BrN2O2S — CID 7203050

IUPACN-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nc2c(Br)cccc2s1
InChIInChI=1S/C15H11BrN2O2S/c16-11-7-4-8-12-14(11)18-15(21-12)17-13(19)9-20-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18,19)
InChIKeyBVLRWRHZKXGANC-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.08
Rot. Bonds4

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

N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide (PubChem CID 7203050) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
PubChem CID7203050
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC NameN-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nc2c(Br)cccc2s1
InChIInChI=1S/C15H11BrN2O2S/c16-11-7-4-8-12-14(11)18-15(21-12)17-13(19)9-20-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18,19)
InChIKeyBVLRWRHZKXGANC-UHFFFAOYSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 43989482
N-(4-bromo-1,3-benzothiazol-2-yl)-2-[2-[(4-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethoxy]acetamide
CID 43989383
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7615226
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
CID 91680875
N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 7202695
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7193216
N-(4-bromo-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 41235361
N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 7189855
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
N-(4-bromo-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41235389

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide (CID 7203050) is N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1nc2c(Br)cccc2s1.
What is the InChIKey of N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide?
The InChIKey is BVLRWRHZKXGANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c16-11-7-4-8-12-14(11)18-15(21-12)17-13(19)9-20-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18,19).
What are the key properties of N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide?
N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide has a molecular weight of 363.24 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 7203050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).