5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole

C13H14BrNO2S — CID 116887902

IUPAC5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole
SMILESCOc1cc(-c2nc(C)c(Br)s2)c(OC)cc1C
InChIInChI=1S/C13H14BrNO2S/c1-7-5-11(17-4)9(6-10(7)16-3)13-15-8(2)12(14)18-13/h5-6H,1-4H3
InChIKeyAFRZVTBTMQKSRR-UHFFFAOYSA-N
MW328.23 g/mol
LogP4.21
Rot. Bonds3

About 5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole

5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole (PubChem CID 116887902) has the molecular formula C13H14BrNO2S and a molecular weight of 328.23 g/mol. Its IUPAC name is 5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole
PubChem CID116887902
Molecular FormulaC13H14BrNO2S
Molecular Weight328.23 g/mol
Exact Mass326.99
IUPAC Name5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole
SMILESCOc1cc(-c2nc(C)c(Br)s2)c(OC)cc1C
InChIInChI=1S/C13H14BrNO2S/c1-7-5-11(17-4)9(6-10(7)16-3)13-15-8(2)12(14)18-13/h5-6H,1-4H3
InChIKeyAFRZVTBTMQKSRR-UHFFFAOYSA-N
XLogP4.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864302
2-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886039
2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole
CID 82135463
2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887531
5-bromo-2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 116887939
2-(2-bromo-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 60926807
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
[2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887788
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864286
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole (CID 116887902) is 5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole is COc1cc(-c2nc(C)c(Br)s2)c(OC)cc1C.
What is the InChIKey of 5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole?
The InChIKey is AFRZVTBTMQKSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2S/c1-7-5-11(17-4)9(6-10(7)16-3)13-15-8(2)12(14)18-13/h5-6H,1-4H3.
What are the key properties of 5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole?
5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole has a molecular weight of 328.23 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 116887902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).