4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole

C11H7BrF3NOS — CID 163208111

IUPAC4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole
SMILESCc1sc(Oc2ccc(C(F)(F)F)cc2)nc1Br
InChIInChI=1S/C11H7BrF3NOS/c1-6-9(12)16-10(18-6)17-8-4-2-7(3-5-8)11(13,14)15/h2-5H,1H3
InChIKeyZXXHBZRGNIHOFB-UHFFFAOYSA-N
MW338.15 g/mol
LogP5.03
Rot. Bonds2

About 4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole

4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole (PubChem CID 163208111) has the molecular formula C11H7BrF3NOS and a molecular weight of 338.15 g/mol. Its IUPAC name is 4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole
PubChem CID163208111
Molecular FormulaC11H7BrF3NOS
Molecular Weight338.15 g/mol
Exact Mass336.94
IUPAC Name4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole
SMILESCc1sc(Oc2ccc(C(F)(F)F)cc2)nc1Br
InChIInChI=1S/C11H7BrF3NOS/c1-6-9(12)16-10(18-6)17-8-4-2-7(3-5-8)11(13,14)15/h2-5H,1H3
InChIKeyZXXHBZRGNIHOFB-UHFFFAOYSA-N
XLogP5.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.15
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole?
The IUPAC name of 4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole (CID 163208111) is 4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole.
What is the SMILES notation for 4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole?
The canonical SMILES for 4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole is Cc1sc(Oc2ccc(C(F)(F)F)cc2)nc1Br.
What is the InChIKey of 4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole?
The InChIKey is ZXXHBZRGNIHOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NOS/c1-6-9(12)16-10(18-6)17-8-4-2-7(3-5-8)11(13,14)15/h2-5H,1H3.
What are the key properties of 4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole?
4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole has a molecular weight of 338.15 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole is sourced from PubChem (CID 163208111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).