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

C14H16BrNOS — CID 116970317

IUPAC2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
SMILESCOc1c(C)cc(-c2csc(CBr)n2)c(C)c1C
InChIInChI=1S/C14H16BrNOS/c1-8-5-11(9(2)10(3)14(8)17-4)12-7-18-13(6-15)16-12/h5,7H,6H2,1-4H3
InChIKeyKOGWDXGJIAJTEE-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.64
Rot. Bonds3

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

2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole (PubChem CID 116970317) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
PubChem CID116970317
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
SMILESCOc1c(C)cc(-c2csc(CBr)n2)c(C)c1C
InChIInChI=1S/C14H16BrNOS/c1-8-5-11(9(2)10(3)14(8)17-4)12-7-18-13(6-15)16-12/h5,7H,6H2,1-4H3
InChIKeyKOGWDXGJIAJTEE-UHFFFAOYSA-N
XLogP4.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.64
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-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole
CID 116970291
2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole
CID 116970319
2-(bromomethyl)-4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-thiazole
CID 116970374
2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864215
4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116892294
[2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol
CID 116889050
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116970332
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915
[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965938
2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole
CID 116970066
2-[4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3346581

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole?
The IUPAC name of 2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole (CID 116970317) is 2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole is COc1c(C)cc(-c2csc(CBr)n2)c(C)c1C.
What is the InChIKey of 2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole?
The InChIKey is KOGWDXGJIAJTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-8-5-11(9(2)10(3)14(8)17-4)12-7-18-13(6-15)16-12/h5,7H,6H2,1-4H3.
What are the key properties of 2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole?
2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole has a molecular weight of 326.26 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 116970317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).