N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide

C5H4BrClN2OS — CID 2392313

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide
SMILESO=C(CCl)Nc1ncc(Br)s1
InChIInChI=1S/C5H4BrClN2OS/c6-3-2-8-5(11-3)9-4(10)1-7/h2H,1H2,(H,8,9,10)
InChIKeyDRUYVFJOLFMSOA-UHFFFAOYSA-N
MW255.52 g/mol
LogP2.08
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide

N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide (PubChem CID 2392313) has the molecular formula C5H4BrClN2OS and a molecular weight of 255.52 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide
PubChem CID2392313
Molecular FormulaC5H4BrClN2OS
Molecular Weight255.52 g/mol
Exact Mass253.89
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide
SMILESO=C(CCl)Nc1ncc(Br)s1
InChIInChI=1S/C5H4BrClN2OS/c6-3-2-8-5(11-3)9-4(10)1-7/h2H,1H2,(H,8,9,10)
InChIKeyDRUYVFJOLFMSOA-UHFFFAOYSA-N
XLogP2.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-bromo-1,3-thiazol-2-yl)-2-chloroacetamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide (CID 2392313) is N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide is O=C(CCl)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide?
The InChIKey is DRUYVFJOLFMSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2OS/c6-3-2-8-5(11-3)9-4(10)1-7/h2H,1H2,(H,8,9,10).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide has a molecular weight of 255.52 g/mol, XLogP of 2.08, 2 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-thiazol-2-yl)-2-chloroacetamide is sourced from PubChem (CID 2392313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).