2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole

C12H12BrNOS — CID 116968062

IUPAC2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
SMILESCOc1cc(C)cc(C)c1-c1csc(Br)n1
InChIInChI=1S/C12H12BrNOS/c1-7-4-8(2)11(10(5-7)15-3)9-6-16-12(13)14-9/h4-6H,1-3H3
InChIKeyCCHQUBKOGMFHIY-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.20
Rot. Bonds2

About 2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole

2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole (PubChem CID 116968062) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
PubChem CID116968062
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
SMILESCOc1cc(C)cc(C)c1-c1csc(Br)n1
InChIInChI=1S/C12H12BrNOS/c1-7-4-8(2)11(10(5-7)15-3)9-6-16-12(13)14-9/h4-6H,1-3H3
InChIKeyCCHQUBKOGMFHIY-UHFFFAOYSA-N
XLogP4.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole?
The IUPAC name of 2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole (CID 116968062) is 2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole is COc1cc(C)cc(C)c1-c1csc(Br)n1.
What is the InChIKey of 2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole?
The InChIKey is CCHQUBKOGMFHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-7-4-8(2)11(10(5-7)15-3)9-6-16-12(13)14-9/h4-6H,1-3H3.
What are the key properties of 2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole?
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole has a molecular weight of 298.21 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 116968062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).