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

C6H7BrN2OS — CID 58878121

IUPAC2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CBr)s1
InChIInChI=1S/C6H7BrN2OS/c1-4-3-8-6(11-4)9-5(10)2-7/h3H,2H2,1H3,(H,8,9,10)
InChIKeyYHHHSVCNXIXDNU-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.78
Rot. Bonds2

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

2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 58878121) has the molecular formula C6H7BrN2OS and a molecular weight of 235.11 g/mol. Its IUPAC name is 2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID58878121
Molecular FormulaC6H7BrN2OS
Molecular Weight235.11 g/mol
Exact Mass233.95
IUPAC Name2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CBr)s1
InChIInChI=1S/C6H7BrN2OS/c1-4-3-8-6(11-4)9-5(10)2-7/h3H,2H2,1H3,(H,8,9,10)
InChIKeyYHHHSVCNXIXDNU-UHFFFAOYSA-N
XLogP1.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.78
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 2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 58878121) is 2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CBr)s1.
What is the InChIKey of 2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is YHHHSVCNXIXDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2OS/c1-4-3-8-6(11-4)9-5(10)2-7/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of 2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 235.11 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 58878121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).