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

C12H12BrNOS — CID 82135118

IUPAC2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
SMILESCCOc1ccc(-c2sc(Br)nc2C)cc1
InChIInChI=1S/C12H12BrNOS/c1-3-15-10-6-4-9(5-7-10)11-8(2)14-12(13)16-11/h4-7H,3H2,1-2H3
InChIKeyKHIZJDFVNUDOCI-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.28
Rot. Bonds3

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

2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole (PubChem CID 82135118) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
PubChem CID82135118
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
SMILESCCOc1ccc(-c2sc(Br)nc2C)cc1
InChIInChI=1S/C12H12BrNOS/c1-3-15-10-6-4-9(5-7-10)11-8(2)14-12(13)16-11/h4-7H,3H2,1-2H3
InChIKeyKHIZJDFVNUDOCI-UHFFFAOYSA-N
XLogP4.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
CID 116887988
2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887536
2,5-bis(4-ethoxyphenyl)thiophene
CID 154402016
2-(3-bromo-4-methoxyphenyl)-5-(4-ethoxyphenyl)-3,4-dimethylthiophene
CID 141073909
2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 55045308
[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanol
CID 131866767
[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867366
4-(4-ethoxyphenyl)-5-methyl-2H-triazole
CID 170147551
[2-(4-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441217
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
5-bromo-2-(4-ethoxyphenyl)pyridine
CID 83920618
5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510956

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole (CID 82135118) is 2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole is CCOc1ccc(-c2sc(Br)nc2C)cc1.
What is the InChIKey of 2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole?
The InChIKey is KHIZJDFVNUDOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-3-15-10-6-4-9(5-7-10)11-8(2)14-12(13)16-11/h4-7H,3H2,1-2H3.
What are the key properties of 2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole?
2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole has a molecular weight of 298.21 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 82135118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).