3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole

C10H8F3N3OS — CID 166109272

IUPAC3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2cc3c(s2)CNCC3)no1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)9-15-8(16-17-9)6-3-5-1-2-14-4-7(5)18-6/h3,14H,1-2,4H2
InChIKeyPJFRGAKCFYXWSD-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.46
Rot. Bonds1

About 3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole

3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 166109272) has the molecular formula C10H8F3N3OS and a molecular weight of 275.25 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID166109272
Molecular FormulaC10H8F3N3OS
Molecular Weight275.25 g/mol
Exact Mass275.03
IUPAC Name3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2cc3c(s2)CNCC3)no1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)9-15-8(16-17-9)6-3-5-1-2-14-4-7(5)18-6/h3,14H,1-2,4H2
InChIKeyPJFRGAKCFYXWSD-UHFFFAOYSA-N
XLogP2.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

cyclobutyl-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
CID 166109377
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-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
N-phenyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 166109485
3-[6-(3-methylphenyl)sulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 166109388
N-(1,3-thiazol-2-yl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 166109312
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-(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-(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
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
N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 166109340
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

Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 166109272) is 3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2cc3c(s2)CNCC3)no1.
What is the InChIKey of 3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is PJFRGAKCFYXWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c11-10(12,13)9-15-8(16-17-9)6-3-5-1-2-14-4-7(5)18-6/h3,14H,1-2,4H2.
What are the key properties of 3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 275.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 166109272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).