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

C8H11BrN2OS — CID 108760194

IUPAC2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)Br)cs1
InChIInChI=1S/C8H11BrN2OS/c1-5(9)8(12)10-3-7-4-13-6(2)11-7/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyGMAYVYLOUMXAHJ-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.85
Rot. Bonds3

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

2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 108760194) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID108760194
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)Br)cs1
InChIInChI=1S/C8H11BrN2OS/c1-5(9)8(12)10-3-7-4-13-6(2)11-7/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyGMAYVYLOUMXAHJ-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 65228946
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
3-amino-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895360
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
N-(furan-2-ylmethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 61285392
(2R)-2-amino-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 104908213
2-amino-2-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 106151636
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
CID 104897686
(Z)-2,3-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobut-2-enoic acid
CID 55169840
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108760271
(2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819647
2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287032

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (CID 108760194) is 2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nc(CNC(=O)C(C)Br)cs1.
What is the InChIKey of 2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is GMAYVYLOUMXAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-5(9)8(12)10-3-7-4-13-6(2)11-7/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of 2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 263.16 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 108760194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).