2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole

C15H11F3N2OS — CID 2744571

IUPAC2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole
SMILESFC(F)(F)c1cccnc1Oc1ccc(C2=NCCS2)cc1
InChIInChI=1S/C15H11F3N2OS/c16-15(17,18)12-2-1-7-19-13(12)21-11-5-3-10(4-6-11)14-20-8-9-22-14/h1-7H,8-9H2
InChIKeyRBXFQDXHFYENKQ-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.39
Rot. Bonds3

About 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole

2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 2744571) has the molecular formula C15H11F3N2OS and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID2744571
Molecular FormulaC15H11F3N2OS
Molecular Weight324.33 g/mol
Exact Mass324.05
IUPAC Name2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole
SMILESFC(F)(F)c1cccnc1Oc1ccc(C2=NCCS2)cc1
InChIInChI=1S/C15H11F3N2OS/c16-15(17,18)12-2-1-7-19-13(12)21-11-5-3-10(4-6-11)14-20-8-9-22-14/h1-7H,8-9H2
InChIKeyRBXFQDXHFYENKQ-UHFFFAOYSA-N
XLogP4.39
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole (CID 2744571) is 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole is FC(F)(F)c1cccnc1Oc1ccc(C2=NCCS2)cc1.
What is the InChIKey of 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is RBXFQDXHFYENKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2OS/c16-15(17,18)12-2-1-7-19-13(12)21-11-5-3-10(4-6-11)14-20-8-9-22-14/h1-7H,8-9H2.
What are the key properties of 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole?
2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 324.33 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 2744571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).