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

C11H7BrF3NOS — CID 116967679

IUPAC4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ccc(Br)cc1-c1csc(C(F)(F)F)n1
InChIInChI=1S/C11H7BrF3NOS/c1-17-9-3-2-6(12)4-7(9)8-5-18-10(16-8)11(13,14)15/h2-5H,1H3
InChIKeyCNTSTYWEMKYFMS-UHFFFAOYSA-N
MW338.15 g/mol
LogP4.60
Rot. Bonds2

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

4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 116967679) has the molecular formula C11H7BrF3NOS and a molecular weight of 338.15 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID116967679
Molecular FormulaC11H7BrF3NOS
Molecular Weight338.15 g/mol
Exact Mass336.94
IUPAC Name4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ccc(Br)cc1-c1csc(C(F)(F)F)n1
InChIInChI=1S/C11H7BrF3NOS/c1-17-9-3-2-6(12)4-7(9)8-5-18-10(16-8)11(13,14)15/h2-5H,1H3
InChIKeyCNTSTYWEMKYFMS-UHFFFAOYSA-N
XLogP4.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967689
[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 82124686
1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 82308937
1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 116967629
3-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 116866801
2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
CID 116892562
6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid
CID 24730144
5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861952
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556
4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 143934380
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
2-[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 116865217

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole (CID 116967679) is 4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole is COc1ccc(Br)cc1-c1csc(C(F)(F)F)n1.
What is the InChIKey of 4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is CNTSTYWEMKYFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NOS/c1-17-9-3-2-6(12)4-7(9)8-5-18-10(16-8)11(13,14)15/h2-5H,1H3.
What are the key properties of 4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole?
4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 338.15 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 116967679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).