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

C16H16F3NO2S — CID 66939482

IUPAC4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(-c2nc(COC3CCCCO3)cs2)c1
InChIInChI=1S/C16H16F3NO2S/c17-16(18,19)12-5-3-4-11(8-12)15-20-13(10-23-15)9-22-14-6-1-2-7-21-14/h3-5,8,10,14H,1-2,6-7,9H2
InChIKeySZRUHCBZYPFTOK-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.87
Rot. Bonds4

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

4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 66939482) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is 4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID66939482
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(-c2nc(COC3CCCCO3)cs2)c1
InChIInChI=1S/C16H16F3NO2S/c17-16(18,19)12-5-3-4-11(8-12)15-20-13(10-23-15)9-22-14-6-1-2-7-21-14/h3-5,8,10,14H,1-2,6-7,9H2
InChIKeySZRUHCBZYPFTOK-UHFFFAOYSA-N
XLogP4.87
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole (CID 66939482) is 4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1cccc(-c2nc(COC3CCCCO3)cs2)c1.
What is the InChIKey of 4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is SZRUHCBZYPFTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c17-16(18,19)12-5-3-4-11(8-12)15-20-13(10-23-15)9-22-14-6-1-2-7-21-14/h3-5,8,10,14H,1-2,6-7,9H2.
What are the key properties of 4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 343.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 66939482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).