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

C17H17F3N2O2S — CID 129309569

IUPAC2-(4-ethoxyphenyl)-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)cc1
InChIInChI=1S/C17H17F3N2O2S/c1-2-24-12-5-3-11(4-6-12)9-15(23)22-8-7-13-14(10-22)25-16(21-13)17(18,19)20/h3-6H,2,7-10H2,1H3
InChIKeySUMZNLGGBOTMCE-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.69
Rot. Bonds4

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

2-(4-ethoxyphenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone (PubChem CID 129309569) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
PubChem CID129309569
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name2-(4-ethoxyphenyl)-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)cc1
InChIInChI=1S/C17H17F3N2O2S/c1-2-24-12-5-3-11(4-6-12)9-15(23)22-8-7-13-14(10-22)25-16(21-13)17(18,19)20/h3-6H,2,7-10H2,1H3
InChIKeySUMZNLGGBOTMCE-UHFFFAOYSA-N
XLogP3.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone (CID 129309569) is 2-(4-ethoxyphenyl)-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-ethoxyphenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-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)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
The InChIKey is SUMZNLGGBOTMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c1-2-24-12-5-3-11(4-6-12)9-15(23)22-8-7-13-14(10-22)25-16(21-13)17(18,19)20/h3-6H,2,7-10H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
2-(4-ethoxyphenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone has a molecular weight of 370.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 129309569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).