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

C21H13F3N2OS — CID 11452303

IUPAC2-pyridin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccccc1-c1cccc(-c2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C21H13F3N2OS/c22-21(23,24)27-19-10-2-1-8-16(19)14-6-5-7-15(12-14)18-13-28-20(26-18)17-9-3-4-11-25-17/h1-13H
InChIKeyXYCLEQHTHMAPBC-UHFFFAOYSA-N
MW398.41 g/mol
LogP6.44
Rot. Bonds4

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

2-pyridin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole (PubChem CID 11452303) has the molecular formula C21H13F3N2OS and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-pyridin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole
PubChem CID11452303
Molecular FormulaC21H13F3N2OS
Molecular Weight398.41 g/mol
Exact Mass398.07
IUPAC Name2-pyridin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccccc1-c1cccc(-c2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C21H13F3N2OS/c22-21(23,24)27-19-10-2-1-8-16(19)14-6-5-7-15(12-14)18-13-28-20(26-18)17-9-3-4-11-25-17/h1-13H
InChIKeyXYCLEQHTHMAPBC-UHFFFAOYSA-N
XLogP6.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.41
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
The IUPAC name of 2-pyridin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole (CID 11452303) is 2-pyridin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-pyridin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-pyridin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole is FC(F)(F)Oc1ccccc1-c1cccc(-c2csc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-pyridin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
The InChIKey is XYCLEQHTHMAPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2OS/c22-21(23,24)27-19-10-2-1-8-16(19)14-6-5-7-15(12-14)18-13-28-20(26-18)17-9-3-4-11-25-17/h1-13H.
What are the key properties of 2-pyridin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
2-pyridin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole has a molecular weight of 398.41 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 11452303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).