N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide

C7H7BrN2O2S — CID 53403368

IUPACN-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(C(=O)CBr)s1
InChIInChI=1S/C7H7BrN2O2S/c1-4(11)10-7-9-3-6(13-7)5(12)2-8/h3H,2H2,1H3,(H,9,10,11)
InChIKeyWNAQFNXTPGURJJ-UHFFFAOYSA-N
MW263.12 g/mol
LogP1.68
Rot. Bonds3

About N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide

N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 53403368) has the molecular formula C7H7BrN2O2S and a molecular weight of 263.12 g/mol. Its IUPAC name is N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide
PubChem CID53403368
Molecular FormulaC7H7BrN2O2S
Molecular Weight263.12 g/mol
Exact Mass261.94
IUPAC NameN-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(C(=O)CBr)s1
InChIInChI=1S/C7H7BrN2O2S/c1-4(11)10-7-9-3-6(13-7)5(12)2-8/h3H,2H2,1H3,(H,9,10,11)
InChIKeyWNAQFNXTPGURJJ-UHFFFAOYSA-N
XLogP1.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide (CID 53403368) is N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(C(=O)CBr)s1.
What is the InChIKey of N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is WNAQFNXTPGURJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2S/c1-4(11)10-7-9-3-6(13-7)5(12)2-8/h3H,2H2,1H3,(H,9,10,11).
What are the key properties of N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide?
N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 263.12 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 53403368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).