2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole

C11H10BrNOS — CID 115318324

IUPAC2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1cc(OCc2nccs2)ccc1Br
InChIInChI=1S/C11H10BrNOS/c1-8-6-9(2-3-10(8)12)14-7-11-13-4-5-15-11/h2-6H,7H2,1H3
InChIKeyOHDDTJXKKHCQBH-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.79
Rot. Bonds3

About 2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole

2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole (PubChem CID 115318324) has the molecular formula C11H10BrNOS and a molecular weight of 284.18 g/mol. Its IUPAC name is 2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole
PubChem CID115318324
Molecular FormulaC11H10BrNOS
Molecular Weight284.18 g/mol
Exact Mass282.97
IUPAC Name2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1cc(OCc2nccs2)ccc1Br
InChIInChI=1S/C11H10BrNOS/c1-8-6-9(2-3-10(8)12)14-7-11-13-4-5-15-11/h2-6H,7H2,1H3
InChIKeyOHDDTJXKKHCQBH-UHFFFAOYSA-N
XLogP3.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole 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-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
CID 99836749
2-[(4-bromo-3-methylphenoxy)methyl]-5-chloro-1,3,4-thiadiazole
CID 83133606
[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 83134833
1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
CID 83133201
2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole
CID 173195232
2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole
CID 91181321
4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine
CID 112751405
N-[[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83135292
1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene
CID 112694000
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene
CID 83134041
3-[(4-bromo-3-methylphenoxy)methyl]-1-methylpyrazole
CID 83133039

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole (CID 115318324) is 2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole is Cc1cc(OCc2nccs2)ccc1Br.
What is the InChIKey of 2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole?
The InChIKey is OHDDTJXKKHCQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNOS/c1-8-6-9(2-3-10(8)12)14-7-11-13-4-5-15-11/h2-6H,7H2,1H3.
What are the key properties of 2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole?
2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole has a molecular weight of 284.18 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 115318324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).