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

C6H5BrF2N2OS — CID 130735675

IUPAC2-bromo-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide
SMILESCc1cc(NC(=O)C(F)(F)Br)sn1
InChIInChI=1S/C6H5BrF2N2OS/c1-3-2-4(13-11-3)10-5(12)6(7,8)9/h2H,1H3,(H,10,12)
InChIKeyGARORKGNBXTBOX-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.38
Rot. Bonds2

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

2-bromo-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide (PubChem CID 130735675) has the molecular formula C6H5BrF2N2OS and a molecular weight of 271.09 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide
PubChem CID130735675
Molecular FormulaC6H5BrF2N2OS
Molecular Weight271.09 g/mol
Exact Mass269.93
IUPAC Name2-bromo-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide
SMILESCc1cc(NC(=O)C(F)(F)Br)sn1
InChIInChI=1S/C6H5BrF2N2OS/c1-3-2-4(13-11-3)10-5(12)6(7,8)9/h2H,1H3,(H,10,12)
InChIKeyGARORKGNBXTBOX-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.38
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-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The IUPAC name of 2-bromo-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide (CID 130735675) is 2-bromo-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide.
What is the SMILES notation for 2-bromo-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The canonical SMILES for 2-bromo-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide is Cc1cc(NC(=O)C(F)(F)Br)sn1.
What is the InChIKey of 2-bromo-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The InChIKey is GARORKGNBXTBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2OS/c1-3-2-4(13-11-3)10-5(12)6(7,8)9/h2H,1H3,(H,10,12).
What are the key properties of 2-bromo-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
2-bromo-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide has a molecular weight of 271.09 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide is sourced from PubChem (CID 130735675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).