2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide

C6H9BrN2OS — CID 174661799

IUPAC2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide
SMILESCC1=CSC(Br)N1CC(N)=O
InChIInChI=1S/C6H9BrN2OS/c1-4-3-11-6(7)9(4)2-5(8)10/h3,6H,2H2,1H3,(H2,8,10)
InChIKeyOCPBDNHRMTYFDJ-UHFFFAOYSA-N
MW237.12 g/mol
LogP1.06
Rot. Bonds2

About 2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide

2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide (PubChem CID 174661799) has the molecular formula C6H9BrN2OS and a molecular weight of 237.12 g/mol. Its IUPAC name is 2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide
PubChem CID174661799
Molecular FormulaC6H9BrN2OS
Molecular Weight237.12 g/mol
Exact Mass235.96
IUPAC Name2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide
SMILESCC1=CSC(Br)N1CC(N)=O
InChIInChI=1S/C6H9BrN2OS/c1-4-3-11-6(7)9(4)2-5(8)10/h3,6H,2H2,1H3,(H2,8,10)
InChIKeyOCPBDNHRMTYFDJ-UHFFFAOYSA-N
XLogP1.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide (CID 174661799) is 2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide is CC1=CSC(Br)N1CC(N)=O.
What is the InChIKey of 2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide?
The InChIKey is OCPBDNHRMTYFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2OS/c1-4-3-11-6(7)9(4)2-5(8)10/h3,6H,2H2,1H3,(H2,8,10).
What are the key properties of 2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide?
2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide has a molecular weight of 237.12 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 174661799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).