2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone

C21H16F4N2O2S — CID 95851662

IUPAC2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1
InChIInChI=1S/C21H16F4N2O2S/c22-15-3-1-2-4-17(15)29-12-19(28)27-10-9-16-18(11-27)30-20(26-16)13-5-7-14(8-6-13)21(23,24)25/h1-8H,9-12H2
InChIKeyKIBCJJYSNWAIDC-UHFFFAOYSA-N
MW436.43 g/mol
LogP4.93
Rot. Bonds4

About 2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone

2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone (PubChem CID 95851662) has the molecular formula C21H16F4N2O2S and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
PubChem CID95851662
Molecular FormulaC21H16F4N2O2S
Molecular Weight436.43 g/mol
Exact Mass436.09
IUPAC Name2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1
InChIInChI=1S/C21H16F4N2O2S/c22-15-3-1-2-4-17(15)29-12-19(28)27-10-9-16-18(11-27)30-20(26-16)13-5-7-14(8-6-13)21(23,24)25/h1-8H,9-12H2
InChIKeyKIBCJJYSNWAIDC-UHFFFAOYSA-N
XLogP4.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone (CID 95851662) is 2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone is O=C(COc1ccccc1F)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
The InChIKey is KIBCJJYSNWAIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O2S/c22-15-3-1-2-4-17(15)29-12-19(28)27-10-9-16-18(11-27)30-20(26-16)13-5-7-14(8-6-13)21(23,24)25/h1-8H,9-12H2.
What are the key properties of 2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone has a molecular weight of 436.43 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 95851662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).