5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one

C12H11N3O2S — CID 115886573

IUPAC5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one
SMILESCCc1nc(Cn2ccc3sccc3c2=O)no1
InChIInChI=1S/C12H11N3O2S/c1-2-11-13-10(14-17-11)7-15-5-3-9-8(12(15)16)4-6-18-9/h3-6H,2,7H2,1H3
InChIKeyCSDIDAXXGWVYBL-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.06
Rot. Bonds3

About 5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one

5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one (PubChem CID 115886573) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one
PubChem CID115886573
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one
SMILESCCc1nc(Cn2ccc3sccc3c2=O)no1
InChIInChI=1S/C12H11N3O2S/c1-2-11-13-10(14-17-11)7-15-5-3-9-8(12(15)16)4-6-18-9/h3-6H,2,7H2,1H3
InChIKeyCSDIDAXXGWVYBL-UHFFFAOYSA-N
XLogP2.06
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one (CID 115886573) is 5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one is CCc1nc(Cn2ccc3sccc3c2=O)no1.
What is the InChIKey of 5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is CSDIDAXXGWVYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-2-11-13-10(14-17-11)7-15-5-3-9-8(12(15)16)4-6-18-9/h3-6H,2,7H2,1H3.
What are the key properties of 5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one?
5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 261.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 115886573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).