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

C11H8F3NOS — CID 116891702

IUPAC2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C11H8F3NOS/c1-16-8-4-2-7(3-5-8)10-15-9(6-17-10)11(12,13)14/h2-6H,1H3
InChIKeyFSAMYZZJALUQFR-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.84
Rot. Bonds2

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

2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 116891702) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID116891702
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC Name2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C11H8F3NOS/c1-16-8-4-2-7(3-5-8)10-15-9(6-17-10)11(12,13)14/h2-6H,1H3
InChIKeyFSAMYZZJALUQFR-UHFFFAOYSA-N
XLogP3.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine
CID 18523680
2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 162536924
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133384216
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366043
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol
CID 146186096
2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 91274831
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840
2-oxo-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde
CID 146422842
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 656127
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111688630

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole (CID 116891702) is 2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole is COc1ccc(-c2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is FSAMYZZJALUQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c1-16-8-4-2-7(3-5-8)10-15-9(6-17-10)11(12,13)14/h2-6H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole?
2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 259.25 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 116891702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).