5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole

C19H20FN3O2S — CID 26010821

IUPAC5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
SMILESCC[C@H]1c2ccsc2CCN1Cc1nc(COc2ccc(F)cc2)no1
InChIInChI=1S/C19H20FN3O2S/c1-2-16-15-8-10-26-17(15)7-9-23(16)11-19-21-18(22-25-19)12-24-14-5-3-13(20)4-6-14/h3-6,8,10,16H,2,7,9,11-12H2,1H3/t16-/m0/s1
InChIKeyOQWWKWHFQLSLBT-INIZCTEOSA-N
MW373.45 g/mol
LogP4.36
Rot. Bonds6

About 5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole

5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 26010821) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
PubChem CID26010821
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
SMILESCC[C@H]1c2ccsc2CCN1Cc1nc(COc2ccc(F)cc2)no1
InChIInChI=1S/C19H20FN3O2S/c1-2-16-15-8-10-26-17(15)7-9-23(16)11-19-21-18(22-25-19)12-24-14-5-3-13(20)4-6-14/h3-6,8,10,16H,2,7,9,11-12H2,1H3/t16-/m0/s1
InChIKeyOQWWKWHFQLSLBT-INIZCTEOSA-N
XLogP4.36
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole (CID 26010821) is 5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole is CC[C@H]1c2ccsc2CCN1Cc1nc(COc2ccc(F)cc2)no1.
What is the InChIKey of 5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is OQWWKWHFQLSLBT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-2-16-15-8-10-26-17(15)7-9-23(16)11-19-21-18(22-25-19)12-24-14-5-3-13(20)4-6-14/h3-6,8,10,16H,2,7,9,11-12H2,1H3/t16-/m0/s1.
What are the key properties of 5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole?
5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 373.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 26010821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).