2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide

C8H11BrN2OS — CID 82110511

IUPAC2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESCC(C)(Br)C(=O)NCc1nccs1
InChIInChI=1S/C8H11BrN2OS/c1-8(2,9)7(12)11-5-6-10-3-4-13-6/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyYJEUOPSIQYEOGT-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.93
Rot. Bonds3

About 2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide

2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 82110511) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
PubChem CID82110511
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESCC(C)(Br)C(=O)NCc1nccs1
InChIInChI=1S/C8H11BrN2OS/c1-8(2,9)7(12)11-5-6-10-3-4-13-6/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyYJEUOPSIQYEOGT-UHFFFAOYSA-N
XLogP1.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide
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4-(1,3-thiazol-2-ylmethylcarbamoyl)benzoic acid
CID 54962478
3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61284856
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide (CID 82110511) is 2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide is CC(C)(Br)C(=O)NCc1nccs1.
What is the InChIKey of 2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is YJEUOPSIQYEOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-8(2,9)7(12)11-5-6-10-3-4-13-6/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 263.16 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 82110511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).