3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole

C15H13F2N5O2S — CID 167925735

IUPAC3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole
SMILESFC(F)COc1cnc(-c2noc(C3CNc4ccsc4C3)n2)cn1
InChIInChI=1S/C15H13F2N5O2S/c16-12(17)7-23-13-6-19-10(5-20-13)14-21-15(24-22-14)8-3-11-9(18-4-8)1-2-25-11/h1-2,5-6,8,12,18H,3-4,7H2
InChIKeyXALDUISZONKXEG-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.98
Rot. Bonds5

About 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole

3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 167925735) has the molecular formula C15H13F2N5O2S and a molecular weight of 365.37 g/mol. Its IUPAC name is 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID167925735
Molecular FormulaC15H13F2N5O2S
Molecular Weight365.37 g/mol
Exact Mass365.08
IUPAC Name3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole
SMILESFC(F)COc1cnc(-c2noc(C3CNc4ccsc4C3)n2)cn1
InChIInChI=1S/C15H13F2N5O2S/c16-12(17)7-23-13-6-19-10(5-20-13)14-21-15(24-22-14)8-3-11-9(18-4-8)1-2-25-11/h1-2,5-6,8,12,18H,3-4,7H2
InChIKeyXALDUISZONKXEG-UHFFFAOYSA-N
XLogP2.98
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 167930306
3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902639
3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 79719777
3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911952
3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902657
3-[3-[6-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole
CID 167832011
3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915048
(5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97147233
3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900829
3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902698
5-piperidin-4-yl-3-pyrazin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119948500
(4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 51896263

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole (CID 167925735) is 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole is FC(F)COc1cnc(-c2noc(C3CNc4ccsc4C3)n2)cn1.
What is the InChIKey of 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is XALDUISZONKXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2S/c16-12(17)7-23-13-6-19-10(5-20-13)14-21-15(24-22-14)8-3-11-9(18-4-8)1-2-25-11/h1-2,5-6,8,12,18H,3-4,7H2.
What are the key properties of 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole?
3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 365.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4,5,6,7-tetrahydrothieno[3,2-b]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167925735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).