3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one

C16H14FN3O2S — CID 26032161

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(F)cc2)nn1CN1CCc2sccc2C1
InChIInChI=1S/C16H14FN3O2S/c17-13-3-1-11(2-4-13)15-18-20(16(21)22-15)10-19-7-5-14-12(9-19)6-8-23-14/h1-4,6,8H,5,7,9-10H2
InChIKeyQILIMFZXHKTIOE-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.72
Rot. Bonds3

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 26032161) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID26032161
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(F)cc2)nn1CN1CCc2sccc2C1
InChIInChI=1S/C16H14FN3O2S/c17-13-3-1-11(2-4-13)15-18-20(16(21)22-15)10-19-7-5-14-12(9-19)6-8-23-14/h1-4,6,8H,5,7,9-10H2
InChIKeyQILIMFZXHKTIOE-UHFFFAOYSA-N
XLogP2.72
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one (CID 26032161) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccc(F)cc2)nn1CN1CCc2sccc2C1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is QILIMFZXHKTIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-13-3-1-11(2-4-13)15-18-20(16(21)22-15)10-19-7-5-14-12(9-19)6-8-23-14/h1-4,6,8H,5,7,9-10H2.
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 331.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 26032161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).