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

C16H12F3N5O2S — CID 166109548

IUPAC2-pyrimidin-5-yl-1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESO=C(Cc1cncnc1)N1CCc2scc(-c3noc(C(F)(F)F)n3)c2C1
InChIInChI=1S/C16H12F3N5O2S/c17-16(18,19)15-22-14(23-26-15)11-7-27-12-1-2-24(6-10(11)12)13(25)3-9-4-20-8-21-5-9/h4-5,7-8H,1-3,6H2
InChIKeyGTNTZUUENNQWHJ-UHFFFAOYSA-N
MW395.37 g/mol
LogP2.73
Rot. Bonds3

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

2-pyrimidin-5-yl-1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (PubChem CID 166109548) has the molecular formula C16H12F3N5O2S and a molecular weight of 395.37 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-pyrimidin-5-yl-1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
PubChem CID166109548
Molecular FormulaC16H12F3N5O2S
Molecular Weight395.37 g/mol
Exact Mass395.07
IUPAC Name2-pyrimidin-5-yl-1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESO=C(Cc1cncnc1)N1CCc2scc(-c3noc(C(F)(F)F)n3)c2C1
InChIInChI=1S/C16H12F3N5O2S/c17-16(18,19)15-22-14(23-26-15)11-7-27-12-1-2-24(6-10(11)12)13(25)3-9-4-20-8-21-5-9/h4-5,7-8H,1-3,6H2
InChIKeyGTNTZUUENNQWHJ-UHFFFAOYSA-N
XLogP2.73
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-pyrimidin-5-yl-1-[3-[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

(3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 166109425
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-(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
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
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 86777425
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
1-[3-(2,2,2-trifluoroethoxyimino)azetidin-1-yl]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 166924969
2-phenyl-1-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpyrrolidin-1-yl]ethanone
CID 146461707
1-[3-[N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]anilino]azetidin-1-yl]-2-phenylethanone
CID 146461648
cyclobutyl-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
CID 166109377
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

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-1-[3-[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-pyrimidin-5-yl-1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (CID 166109548) is 2-pyrimidin-5-yl-1-[3-[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-pyrimidin-5-yl-1-[3-[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-pyrimidin-5-yl-1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is O=C(Cc1cncnc1)N1CCc2scc(-c3noc(C(F)(F)F)n3)c2C1.
What is the InChIKey of 2-pyrimidin-5-yl-1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The InChIKey is GTNTZUUENNQWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2S/c17-16(18,19)15-22-14(23-26-15)11-7-27-12-1-2-24(6-10(11)12)13(25)3-9-4-20-8-21-5-9/h4-5,7-8H,1-3,6H2.
What are the key properties of 2-pyrimidin-5-yl-1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
2-pyrimidin-5-yl-1-[3-[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 395.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-yl-1-[3-[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 166109548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).