2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole

C13H14BrNOS — CID 116970291

IUPAC2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole
SMILESCOc1cc(C)c(C)cc1-c1csc(CBr)n1
InChIInChI=1S/C13H14BrNOS/c1-8-4-10(12(16-3)5-9(8)2)11-7-17-13(6-14)15-11/h4-5,7H,6H2,1-3H3
InChIKeyKBQUZLNGPHIMLS-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.33
Rot. Bonds3

About 2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole

2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole (PubChem CID 116970291) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole
PubChem CID116970291
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole
SMILESCOc1cc(C)c(C)cc1-c1csc(CBr)n1
InChIInChI=1S/C13H14BrNOS/c1-8-4-10(12(16-3)5-9(8)2)11-7-17-13(6-14)15-11/h4-5,7H,6H2,1-3H3
InChIKeyKBQUZLNGPHIMLS-UHFFFAOYSA-N
XLogP4.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-thiazole
CID 116970374
2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116970317
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129096
2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole
CID 116970319
4-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-1,3-thiazole
CID 116970071
2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116970332
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129098
[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 82124686
3-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 116866801
4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 3757650
4-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazole
CID 116891772

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole?
The IUPAC name of 2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole (CID 116970291) is 2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole is COc1cc(C)c(C)cc1-c1csc(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole?
The InChIKey is KBQUZLNGPHIMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-8-4-10(12(16-3)5-9(8)2)11-7-17-13(6-14)15-11/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole?
2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole has a molecular weight of 312.23 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 116970291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).