2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole

C11H10BrNOS — CID 82094050

IUPAC2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(Br)n2)cc1C
InChIInChI=1S/C11H10BrNOS/c1-7-5-8(3-4-10(7)14-2)9-6-15-11(12)13-9/h3-6H,1-2H3
InChIKeyBLLYSTOUSFVMJZ-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.89
Rot. Bonds2

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

2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole (PubChem CID 82094050) has the molecular formula C11H10BrNOS and a molecular weight of 284.18 g/mol. Its IUPAC name is 2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
PubChem CID82094050
Molecular FormulaC11H10BrNOS
Molecular Weight284.18 g/mol
Exact Mass282.97
IUPAC Name2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(Br)n2)cc1C
InChIInChI=1S/C11H10BrNOS/c1-7-5-8(3-4-10(7)14-2)9-6-15-11(12)13-9/h3-6H,1-2H3
InChIKeyBLLYSTOUSFVMJZ-UHFFFAOYSA-N
XLogP3.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-(4-methoxy-3-methylphenyl)-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

2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
CID 116965970
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
4-(4-methoxy-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 885223
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965884
2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5136321
1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 23889665
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol
CID 116889737
2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole
CID 116968047

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole (CID 82094050) is 2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole is COc1ccc(-c2csc(Br)n2)cc1C.
What is the InChIKey of 2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole?
The InChIKey is BLLYSTOUSFVMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNOS/c1-7-5-8(3-4-10(7)14-2)9-6-15-11(12)13-9/h3-6H,1-2H3.
What are the key properties of 2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole?
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole has a molecular weight of 284.18 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 82094050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).