2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole

C17H12F3NOS — CID 162536924

IUPAC2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3C(F)(F)F)cs2)cc1
InChIInChI=1S/C17H12F3NOS/c1-22-12-8-6-11(7-9-12)16-21-15(10-23-16)13-4-2-3-5-14(13)17(18,19)20/h2-10H,1H3
InChIKeyQHNZQOHDBLGJJB-UHFFFAOYSA-N
MW335.35 g/mol
LogP5.50
Rot. Bonds3

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

2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 162536924) has the molecular formula C17H12F3NOS and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID162536924
Molecular FormulaC17H12F3NOS
Molecular Weight335.35 g/mol
Exact Mass335.06
IUPAC Name2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3C(F)(F)F)cs2)cc1
InChIInChI=1S/C17H12F3NOS/c1-22-12-8-6-11(7-9-12)16-21-15(10-23-16)13-4-2-3-5-14(13)17(18,19)20/h2-10H,1H3
InChIKeyQHNZQOHDBLGJJB-UHFFFAOYSA-N
XLogP5.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.35
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol
CID 146186096
4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine
CID 134618215
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 116891702
4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 56660116
2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71563552
2-(4-methoxyphenyl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 91135598
4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667839
N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 55154372
4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 23408094
4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
CID 2746356

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole (CID 162536924) is 2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole is COc1ccc(-c2nc(-c3ccccc3C(F)(F)F)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is QHNZQOHDBLGJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NOS/c1-22-12-8-6-11(7-9-12)16-21-15(10-23-16)13-4-2-3-5-14(13)17(18,19)20/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 335.35 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 162536924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).