2-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C8H11BrN2OS — CID 3092527

IUPAC2-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)C(C)(C)Br)n1
InChIInChI=1S/C8H11BrN2OS/c1-5-4-13-7(10-5)11-6(12)8(2,3)9/h4H,1-3H3,(H,10,11,12)
InChIKeyPPLWIEWKUDQMMS-UHFFFAOYSA-N
MW263.16 g/mol
LogP2.56
Rot. Bonds2

About 2-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide

2-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 3092527) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID3092527
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name2-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)C(C)(C)Br)n1
InChIInChI=1S/C8H11BrN2OS/c1-5-4-13-7(10-5)11-6(12)8(2,3)9/h4H,1-3H3,(H,10,11,12)
InChIKeyPPLWIEWKUDQMMS-UHFFFAOYSA-N
XLogP2.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 52.56
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-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 3092527) is 2-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)C(C)(C)Br)n1.
What is the InChIKey of 2-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is PPLWIEWKUDQMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-5-4-13-7(10-5)11-6(12)8(2,3)9/h4H,1-3H3,(H,10,11,12).
What are the key properties of 2-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
2-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 263.16 g/mol, XLogP of 2.56, 2 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-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3092527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).