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

C15H11F3N2OS — CID 2744572

IUPAC2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole
SMILESFC(F)(F)c1ccnc(Oc2ccc(C3=NCCS3)cc2)c1
InChIInChI=1S/C15H11F3N2OS/c16-15(17,18)11-5-6-19-13(9-11)21-12-3-1-10(2-4-12)14-20-7-8-22-14/h1-6,9H,7-8H2
InChIKeyJRPIYUDMHQNLSC-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.39
Rot. Bonds3

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

2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 2744572) has the molecular formula C15H11F3N2OS and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID2744572
Molecular FormulaC15H11F3N2OS
Molecular Weight324.33 g/mol
Exact Mass324.05
IUPAC Name2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole
SMILESFC(F)(F)c1ccnc(Oc2ccc(C3=NCCS3)cc2)c1
InChIInChI=1S/C15H11F3N2OS/c16-15(17,18)11-5-6-19-13(9-11)21-12-3-1-10(2-4-12)14-20-7-8-22-14/h1-6,9H,7-8H2
InChIKeyJRPIYUDMHQNLSC-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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole (CID 2744572) is 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole is FC(F)(F)c1ccnc(Oc2ccc(C3=NCCS3)cc2)c1.
What is the InChIKey of 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is JRPIYUDMHQNLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2OS/c16-15(17,18)11-5-6-19-13(9-11)21-12-3-1-10(2-4-12)14-20-7-8-22-14/h1-6,9H,7-8H2.
What are the key properties of 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole?
2-[4-[[4-(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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 2744572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).