2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole

C13H14BrNOS — CID 82135463

IUPAC2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole
SMILESCOc1cc(C)c(C)cc1-c1nc(Br)sc1C
InChIInChI=1S/C13H14BrNOS/c1-7-5-10(11(16-4)6-8(7)2)12-9(3)17-13(14)15-12/h5-6H,1-4H3
InChIKeyFMDVBWUSGRIORD-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.51
Rot. Bonds2

About 2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole

2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole (PubChem CID 82135463) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole
PubChem CID82135463
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole
SMILESCOc1cc(C)c(C)cc1-c1nc(Br)sc1C
InChIInChI=1S/C13H14BrNOS/c1-7-5-10(11(16-4)6-8(7)2)12-9(3)17-13(14)15-12/h5-6H,1-4H3
InChIKeyFMDVBWUSGRIORD-UHFFFAOYSA-N
XLogP4.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 84611862
1-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84605929
5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole
CID 116887902
4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-oxazole-5-carboxylic acid
CID 82302136
2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole
CID 112769638
2-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886039
1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 84606053
5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864302
4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129096
1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
CID 83666215
2-[4-bromo-3-(2-methoxy-4,5-dimethylphenyl)-1H-pyrazol-5-yl]acetic acid
CID 84611874
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82480345

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole (CID 82135463) is 2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole is COc1cc(C)c(C)cc1-c1nc(Br)sc1C.
What is the InChIKey of 2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole?
The InChIKey is FMDVBWUSGRIORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-7-5-10(11(16-4)6-8(7)2)12-9(3)17-13(14)15-12/h5-6H,1-4H3.
What are the key properties of 2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole?
2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole has a molecular weight of 312.23 g/mol, XLogP of 4.51, 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-4,5-dimethylphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 82135463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).