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

C19H16F3N3O3S — CID 166109464

IUPAC2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)cc1
InChIInChI=1S/C19H16F3N3O3S/c1-27-13-4-2-11(3-5-13)8-16(26)25-7-6-14-12(10-25)9-15(29-14)17-23-18(28-24-17)19(20,21)22/h2-5,9H,6-8,10H2,1H3
InChIKeyHHAKUXVGUVXKDG-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.95
Rot. Bonds4

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

2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (PubChem CID 166109464) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
PubChem CID166109464
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC Name2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)cc1
InChIInChI=1S/C19H16F3N3O3S/c1-27-13-4-2-11(3-5-13)8-16(26)25-7-6-14-12(10-25)9-15(29-14)17-23-18(28-24-17)19(20,21)22/h2-5,9H,6-8,10H2,1H3
InChIKeyHHAKUXVGUVXKDG-UHFFFAOYSA-N
XLogP3.95
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

2-phenyl-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109417
2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109435
2-(3,5-dichlorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109514
2-(3-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109292
2-(4-chloro-2-methylphenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109373
N-phenyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 166109485
2-(4-chlorophenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 166109544
N-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 166109384
N-propyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 166109247
2-(4-methoxyphenyl)-1-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpyrrolidin-1-yl]ethanone
CID 146461523
2-(4-methoxyphenyl)-1-[(3R)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpyrrolidin-1-yl]ethanone
CID 156780380
cyclobutyl-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
CID 166109377

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (CID 166109464) is 2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is COc1ccc(CC(=O)N2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The InChIKey is HHAKUXVGUVXKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c1-27-13-4-2-11(3-5-13)8-16(26)25-7-6-14-12(10-25)9-15(29-14)17-23-18(28-24-17)19(20,21)22/h2-5,9H,6-8,10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone has a molecular weight of 423.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 166109464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).