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

C17H16F4N2O2S — CID 123309979

IUPAC2-(4-ethoxy-2-fluorophenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCc3nc(C(F)(F)F)sc3C2)c(F)c1
InChIInChI=1S/C17H16F4N2O2S/c1-2-25-11-4-3-10(12(18)8-11)7-15(24)23-6-5-13-14(9-23)26-16(22-13)17(19,20)21/h3-4,8H,2,5-7,9H2,1H3
InChIKeyAPKPPTAOWFNVIQ-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.83
Rot. Bonds4

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

2-(4-ethoxy-2-fluorophenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone (PubChem CID 123309979) has the molecular formula C17H16F4N2O2S and a molecular weight of 388.39 g/mol. Its IUPAC name is 2-(4-ethoxy-2-fluorophenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxy-2-fluorophenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
PubChem CID123309979
Molecular FormulaC17H16F4N2O2S
Molecular Weight388.39 g/mol
Exact Mass388.09
IUPAC Name2-(4-ethoxy-2-fluorophenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCc3nc(C(F)(F)F)sc3C2)c(F)c1
InChIInChI=1S/C17H16F4N2O2S/c1-2-25-11-4-3-10(12(18)8-11)7-15(24)23-6-5-13-14(9-23)26-16(22-13)17(19,20)21/h3-4,8H,2,5-7,9H2,1H3
InChIKeyAPKPPTAOWFNVIQ-UHFFFAOYSA-N
XLogP3.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-fluorophenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(4-ethoxy-2-fluorophenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone (CID 123309979) is 2-(4-ethoxy-2-fluorophenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxy-2-fluorophenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(4-ethoxy-2-fluorophenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone is CCOc1ccc(CC(=O)N2CCc3nc(C(F)(F)F)sc3C2)c(F)c1.
What is the InChIKey of 2-(4-ethoxy-2-fluorophenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
The InChIKey is APKPPTAOWFNVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O2S/c1-2-25-11-4-3-10(12(18)8-11)7-15(24)23-6-5-13-14(9-23)26-16(22-13)17(19,20)21/h3-4,8H,2,5-7,9H2,1H3.
What are the key properties of 2-(4-ethoxy-2-fluorophenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
2-(4-ethoxy-2-fluorophenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone has a molecular weight of 388.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-fluorophenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 123309979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).