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

C11H8F3NOS — CID 68669610

IUPAC2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C11H8F3NOS/c1-16-8-4-2-3-7(5-8)10-15-9(6-17-10)11(12,13)14/h2-6H,1H3
InChIKeyXTHLKEIOCLJVFE-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.84
Rot. Bonds2

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

2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 68669610) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID68669610
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC Name2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C11H8F3NOS/c1-16-8-4-2-3-7(5-8)10-15-9(6-17-10)11(12,13)14/h2-6H,1H3
InChIKeyXTHLKEIOCLJVFE-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-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 116891702
2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 2117534
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089431
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl] ethanesulfonate
CID 174970309
4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 18270223
2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 91274831
N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866037
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29132130

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole (CID 68669610) is 2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole is COc1cccc(-c2nc(C(F)(F)F)cs2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is XTHLKEIOCLJVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c1-16-8-4-2-3-7(5-8)10-15-9(6-17-10)11(12,13)14/h2-6H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole?
2-(3-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-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 68669610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).