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

C16H10F3NOS — CID 11427214

IUPAC4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccccc1-c1cccc(-c2cscn2)c1
InChIInChI=1S/C16H10F3NOS/c17-16(18,19)21-15-7-2-1-6-13(15)11-4-3-5-12(8-11)14-9-22-10-20-14/h1-10H
InChIKeyAJYWSJBYBSJCBJ-UHFFFAOYSA-N
MW321.32 g/mol
LogP5.38
Rot. Bonds3

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

4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole (PubChem CID 11427214) has the molecular formula C16H10F3NOS and a molecular weight of 321.32 g/mol. Its IUPAC name is 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole
PubChem CID11427214
Molecular FormulaC16H10F3NOS
Molecular Weight321.32 g/mol
Exact Mass321.04
IUPAC Name4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccccc1-c1cccc(-c2cscn2)c1
InChIInChI=1S/C16H10F3NOS/c17-16(18,19)21-15-7-2-1-6-13(15)11-4-3-5-12(8-11)14-9-22-10-20-14/h1-10H
InChIKeyAJYWSJBYBSJCBJ-UHFFFAOYSA-N
XLogP5.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.32
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2'-(Trifluoromethoxy)biphenyl-3-yl)thiazole-2-carboxamide
CID 11740023
4-(3-Methoxyphenyl)-2-phenyl-1,3-thiazole
CID 18731901
2,4-Bis(3-Methoxyphenyl)Thiazole
CID 24431784
2-(3-Methoxyphenyl)-4-phenyl-1,3-thiazole
CID 8963350
2-(2''-(Trifluoromethoxy)biphenyl-3-yl)thiazole-4-carboxamide
CID 11187635
2-(4-(2''-(Trifluoromethoxy)biphenyl-3-yl)thiazol-2-yl)acetamide
CID 11303465
3-(4-Phenyl-thiazol-2-yl)-chromen-2-ylideneamine
CID 951201
2-Methyl-4-(2''-(trifluoromethoxy)biphenyl-3-yl)thiazole
CID 11267659
N,N-dimethyl-4-(2''-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-carboxamide
CID 11303911
(4-(2''-(Trifluoromethoxy)biphenyl-3-yl)thiazol-2-yl)methanol
CID 11484925
2,2,2-Trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol
CID 46942926
1-(3,4-Difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol
CID 46943544

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
The IUPAC name of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole (CID 11427214) is 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
The canonical SMILES for 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole is FC(F)(F)Oc1ccccc1-c1cccc(-c2cscn2)c1.
What is the InChIKey of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
The InChIKey is AJYWSJBYBSJCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NOS/c17-16(18,19)21-15-7-2-1-6-13(15)11-4-3-5-12(8-11)14-9-22-10-20-14/h1-10H.
What are the key properties of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole has a molecular weight of 321.32 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 11427214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).