N-(5-bromo-1,3-benzothiazol-2-yl)acetamide

C9H7BrN2OS — CID 3625091

IUPACN-(5-bromo-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2cc(Br)ccc2s1
InChIInChI=1S/C9H7BrN2OS/c1-5(13)11-9-12-7-4-6(10)2-3-8(7)14-9/h2-4H,1H3,(H,11,12,13)
InChIKeyBRFOMUAUYIUFTD-UHFFFAOYSA-N
MW271.14 g/mol
LogP3.02
Rot. Bonds1

About N-(5-bromo-1,3-benzothiazol-2-yl)acetamide

N-(5-bromo-1,3-benzothiazol-2-yl)acetamide (PubChem CID 3625091) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is N-(5-bromo-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-benzothiazol-2-yl)acetamide
PubChem CID3625091
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC NameN-(5-bromo-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2cc(Br)ccc2s1
InChIInChI=1S/C9H7BrN2OS/c1-5(13)11-9-12-7-4-6(10)2-3-8(7)14-9/h2-4H,1H3,(H,11,12,13)
InChIKeyBRFOMUAUYIUFTD-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(5-bromo-1,3-benzothiazol-2-yl)acetamide (CID 3625091) is N-(5-bromo-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-bromo-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(5-bromo-1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1nc2cc(Br)ccc2s1.
What is the InChIKey of N-(5-bromo-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is BRFOMUAUYIUFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c1-5(13)11-9-12-7-4-6(10)2-3-8(7)14-9/h2-4H,1H3,(H,11,12,13).
What are the key properties of N-(5-bromo-1,3-benzothiazol-2-yl)acetamide?
N-(5-bromo-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 271.14 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 3625091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).