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

C16H16F3NO2S — CID 70794122

IUPAC2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(-c2csc(COC3CCCCO3)n2)c1
InChIInChI=1S/C16H16F3NO2S/c17-16(18,19)12-5-3-4-11(8-12)13-10-23-14(20-13)9-22-15-6-1-2-7-21-15/h3-5,8,10,15H,1-2,6-7,9H2
InChIKeyNMKNKWSKUCHGRY-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.87
Rot. Bonds4

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

2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 70794122) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID70794122
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(-c2csc(COC3CCCCO3)n2)c1
InChIInChI=1S/C16H16F3NO2S/c17-16(18,19)12-5-3-4-11(8-12)13-10-23-14(20-13)9-22-15-6-1-2-7-21-15/h3-5,8,10,15H,1-2,6-7,9H2
InChIKeyNMKNKWSKUCHGRY-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 2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole (CID 70794122) is 2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1cccc(-c2csc(COC3CCCCO3)n2)c1.
What is the InChIKey of 2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is NMKNKWSKUCHGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c17-16(18,19)12-5-3-4-11(8-12)13-10-23-14(20-13)9-22-15-6-1-2-7-21-15/h3-5,8,10,15H,1-2,6-7,9H2.
What are the key properties of 2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
2-(oxan-2-yloxymethyl)-4-[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 2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 70794122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).