4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole

C14H16BrNOS — CID 79839551

IUPAC4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole
SMILESCCOC(C)c1nc(-c2ccccc2Br)c(C)s1
InChIInChI=1S/C14H16BrNOS/c1-4-17-9(2)14-16-13(10(3)18-14)11-7-5-6-8-12(11)15/h5-9H,4H2,1-3H3
InChIKeyZNZGKYDISHWTKT-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.98
Rot. Bonds4

About 4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole

4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole (PubChem CID 79839551) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole
PubChem CID79839551
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole
SMILESCCOC(C)c1nc(-c2ccccc2Br)c(C)s1
InChIInChI=1S/C14H16BrNOS/c1-4-17-9(2)14-16-13(10(3)18-14)11-7-5-6-8-12(11)15/h5-9H,4H2,1-3H3
InChIKeyZNZGKYDISHWTKT-UHFFFAOYSA-N
XLogP4.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-amine
CID 79838808
4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734447
4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
CID 107113804
4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole
CID 116734479
4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole
CID 79838993
2-(azepan-1-yl)-4-(2-bromophenyl)-5-methyl-1,3-thiazole
CID 79839553
1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 112677183
4-(2-bromophenyl)-5-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 79839091
4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole
CID 79839948
4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole
CID 79839844
4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole
CID 79834211
4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-5-methyl-1,3-thiazole
CID 79839949

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole (CID 79839551) is 4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole is CCOC(C)c1nc(-c2ccccc2Br)c(C)s1.
What is the InChIKey of 4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole?
The InChIKey is ZNZGKYDISHWTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-4-17-9(2)14-16-13(10(3)18-14)11-7-5-6-8-12(11)15/h5-9H,4H2,1-3H3.
What are the key properties of 4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole?
4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole has a molecular weight of 326.26 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 79839551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).