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

C12H12BrNO2S — CID 116968047

IUPAC2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(Br)n2)c(OC)c1C
InChIInChI=1S/C12H12BrNO2S/c1-7-10(15-2)5-4-8(11(7)16-3)9-6-17-12(13)14-9/h4-6H,1-3H3
InChIKeyLRZPQDOKQBGIIP-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.90
Rot. Bonds3

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

2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole (PubChem CID 116968047) has the molecular formula C12H12BrNO2S and a molecular weight of 314.20 g/mol. Its IUPAC name is 2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole
PubChem CID116968047
Molecular FormulaC12H12BrNO2S
Molecular Weight314.20 g/mol
Exact Mass312.98
IUPAC Name2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(Br)n2)c(OC)c1C
InChIInChI=1S/C12H12BrNO2S/c1-7-10(15-2)5-4-8(11(7)16-3)9-6-17-12(13)14-9/h4-6H,1-3H3
InChIKeyLRZPQDOKQBGIIP-UHFFFAOYSA-N
XLogP3.90
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole
CID 116970066
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 82094050
1-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867574
[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970211
2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300637
5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine
CID 84606683
4-(2,4-dimethoxy-3-methylphenyl)-N-methylpyrimidin-2-amine
CID 116900544
4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894919
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
1-[6-(2,4-dimethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine
CID 95475627
[4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine
CID 98021222
[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
CID 82480208

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole (CID 116968047) is 2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole is COc1ccc(-c2csc(Br)n2)c(OC)c1C.
What is the InChIKey of 2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole?
The InChIKey is LRZPQDOKQBGIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S/c1-7-10(15-2)5-4-8(11(7)16-3)9-6-17-12(13)14-9/h4-6H,1-3H3.
What are the key properties of 2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole?
2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole has a molecular weight of 314.20 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 116968047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).