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

C11H7BrF3NS — CID 116967689

IUPAC4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCc1ccc(Br)cc1-c1csc(C(F)(F)F)n1
InChIInChI=1S/C11H7BrF3NS/c1-6-2-3-7(12)4-8(6)9-5-17-10(16-9)11(13,14)15/h2-5H,1H3
InChIKeyHBYGLVMYPSUFFT-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.90
Rot. Bonds1

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

4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 116967689) has the molecular formula C11H7BrF3NS and a molecular weight of 322.15 g/mol. Its IUPAC name is 4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID116967689
Molecular FormulaC11H7BrF3NS
Molecular Weight322.15 g/mol
Exact Mass320.94
IUPAC Name4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCc1ccc(Br)cc1-c1csc(C(F)(F)F)n1
InChIInChI=1S/C11H7BrF3NS/c1-6-2-3-7(12)4-8(6)9-5-17-10(16-9)11(13,14)15/h2-5H,1H3
InChIKeyHBYGLVMYPSUFFT-UHFFFAOYSA-N
XLogP4.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole (CID 116967689) is 4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole is Cc1ccc(Br)cc1-c1csc(C(F)(F)F)n1.
What is the InChIKey of 4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is HBYGLVMYPSUFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NS/c1-6-2-3-7(12)4-8(6)9-5-17-10(16-9)11(13,14)15/h2-5H,1H3.
What are the key properties of 4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole?
4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 322.15 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 116967689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).