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

C12H11BrClNOS — CID 116970319

IUPAC2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole
SMILESCOc1c(C)cc(Cl)cc1-c1csc(CBr)n1
InChIInChI=1S/C12H11BrClNOS/c1-7-3-8(14)4-9(12(7)16-2)10-6-17-11(5-13)15-10/h3-4,6H,5H2,1-2H3
InChIKeyQSJJLVSYCLEQMB-UHFFFAOYSA-N
MW332.65 g/mol
LogP4.68
Rot. Bonds3

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

2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole (PubChem CID 116970319) has the molecular formula C12H11BrClNOS and a molecular weight of 332.65 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole
PubChem CID116970319
Molecular FormulaC12H11BrClNOS
Molecular Weight332.65 g/mol
Exact Mass330.94
IUPAC Name2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole
SMILESCOc1c(C)cc(Cl)cc1-c1csc(CBr)n1
InChIInChI=1S/C12H11BrClNOS/c1-7-3-8(14)4-9(12(7)16-2)10-6-17-11(5-13)15-10/h3-4,6H,5H2,1-2H3
InChIKeyQSJJLVSYCLEQMB-UHFFFAOYSA-N
XLogP4.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.65
LogP ≤ 54.68
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-[4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3346581
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole
CID 116967848
2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116970317
2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole
CID 116970291
2-(bromomethyl)-4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-thiazole
CID 116970374
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole
CID 116968103
2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116970332
[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965938
[6-(5-chloro-2-methoxy-3-methylphenyl)pyridazin-3-yl]methanamine
CID 82303524
1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 82302277

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole (CID 116970319) is 2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole is COc1c(C)cc(Cl)cc1-c1csc(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole?
The InChIKey is QSJJLVSYCLEQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNOS/c1-7-3-8(14)4-9(12(7)16-2)10-6-17-11(5-13)15-10/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole?
2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole has a molecular weight of 332.65 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 116970319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).