5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole

C12H12ClNOS — CID 112641170

IUPAC5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole
SMILESCc1cccc(CCl)c1OCc1cncs1
InChIInChI=1S/C12H12ClNOS/c1-9-3-2-4-10(5-13)12(9)15-7-11-6-14-8-16-11/h2-4,6,8H,5,7H2,1H3
InChIKeyLIWSMSOQXOECJT-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.77
Rot. Bonds4

About 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole

5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole (PubChem CID 112641170) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole
PubChem CID112641170
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole
SMILESCc1cccc(CCl)c1OCc1cncs1
InChIInChI=1S/C12H12ClNOS/c1-9-3-2-4-10(5-13)12(9)15-7-11-6-14-8-16-11/h2-4,6,8H,5,7H2,1H3
InChIKeyLIWSMSOQXOECJT-UHFFFAOYSA-N
XLogP3.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[2-(chloromethyl)-6-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

5-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641131
2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3,5-trimethylbenzene
CID 115956504
3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640206
N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640482
2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613290
5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole
CID 112641160
N-[[3-fluoro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 112640473
5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole
CID 112613264
4-chloro-5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-dimethylpyrazole
CID 112613378
2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112640397
1-(chloromethyl)-2-(4-methoxybutoxy)-3-methylbenzene
CID 104648135
1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589113

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole?
The IUPAC name of 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole (CID 112641170) is 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole is Cc1cccc(CCl)c1OCc1cncs1.
What is the InChIKey of 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole?
The InChIKey is LIWSMSOQXOECJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-9-3-2-4-10(5-13)12(9)15-7-11-6-14-8-16-11/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole?
5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole has a molecular weight of 253.75 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole is sourced from PubChem (CID 112641170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).