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

C12H11BrClNOS — CID 116892207

IUPAC4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole
SMILESCOc1cc(C)c(Cl)c(C)c1-c1nc(Br)cs1
InChIInChI=1S/C12H11BrClNOS/c1-6-4-8(16-3)10(7(2)11(6)14)12-15-9(13)5-17-12/h4-5H,1-3H3
InChIKeyVAXNQJULMXLZMP-UHFFFAOYSA-N
MW332.65 g/mol
LogP4.85
Rot. Bonds2

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

4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole (PubChem CID 116892207) has the molecular formula C12H11BrClNOS and a molecular weight of 332.65 g/mol. Its IUPAC name is 4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole
PubChem CID116892207
Molecular FormulaC12H11BrClNOS
Molecular Weight332.65 g/mol
Exact Mass330.94
IUPAC Name4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole
SMILESCOc1cc(C)c(Cl)c(C)c1-c1nc(Br)cs1
InChIInChI=1S/C12H11BrClNOS/c1-6-4-8(16-3)10(7(2)11(6)14)12-15-9(13)5-17-12/h4-5H,1-3H3
InChIKeyVAXNQJULMXLZMP-UHFFFAOYSA-N
XLogP4.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.65
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one
CID 116966090
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 95481914
4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole
CID 116892178
2-(2,4-dimethoxy-6-methylphenyl)-4-methyl-1,3-thiazole
CID 116891940
4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole
CID 142618257
4-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazole
CID 116891772
4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116892221
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
[2-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892118
2-(bromomethyl)-4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-thiazole
CID 116970374
4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 116892268
4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole
CID 155230325

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole (CID 116892207) is 4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole is COc1cc(C)c(Cl)c(C)c1-c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole?
The InChIKey is VAXNQJULMXLZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNOS/c1-6-4-8(16-3)10(7(2)11(6)14)12-15-9(13)5-17-12/h4-5H,1-3H3.
What are the key properties of 4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole?
4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole has a molecular weight of 332.65 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 116892207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).