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

C7H9BrN2OS — CID 818142

IUPAC2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(Br)C(=O)Nc1nccs1
InChIInChI=1S/C7H9BrN2OS/c1-7(2,8)5(11)10-6-9-3-4-12-6/h3-4H,1-2H3,(H,9,10,11)
InChIKeyCJRFOGRRZNLWOH-UHFFFAOYSA-N
MW249.13 g/mol
LogP2.26
Rot. Bonds2

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

2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 818142) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID818142
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(Br)C(=O)Nc1nccs1
InChIInChI=1S/C7H9BrN2OS/c1-7(2,8)5(11)10-6-9-3-4-12-6/h3-4H,1-2H3,(H,9,10,11)
InChIKeyCJRFOGRRZNLWOH-UHFFFAOYSA-N
XLogP2.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 52.26
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

2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110511
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide
CID 106278316
2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide
CID 13163904
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide
CID 3799944
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578
2-(2-methoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110439598
2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid
CID 61266713
1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82508901
2,2-dimethyl-3-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
CID 115428250
2-methyl-2-naphthalen-2-yloxy-N-(1,3-thiazol-2-yl)propanamide
CID 24962327
ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 143671313

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide (CID 818142) is 2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide is CC(C)(Br)C(=O)Nc1nccs1.
What is the InChIKey of 2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is CJRFOGRRZNLWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c1-7(2,8)5(11)10-6-9-3-4-12-6/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of 2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 249.13 g/mol, XLogP of 2.26, 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-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 818142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).