2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C17H17N3O2S — CID 71579575

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1
InChIInChI=1S/C17H17N3O2S/c1-21-14-4-2-13(3-5-14)17-19-18-16(22-17)11-20-8-6-12-7-9-23-15(12)10-20/h2-5,7,9H,6,8,10-11H2,1H3
InChIKeyIWDLRSQZRUHTDZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.37
Rot. Bonds4

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

2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 71579575) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID71579575
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1
InChIInChI=1S/C17H17N3O2S/c1-21-14-4-2-13(3-5-14)17-19-18-16(22-17)11-20-8-6-12-7-9-23-15(12)10-20/h2-5,7,9H,6,8,10-11H2,1H3
InChIKeyIWDLRSQZRUHTDZ-UHFFFAOYSA-N
XLogP3.37
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 71579575) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is IWDLRSQZRUHTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-21-14-4-2-13(3-5-14)17-19-18-16(22-17)11-20-8-6-12-7-9-23-15(12)10-20/h2-5,7,9H,6,8,10-11H2,1H3.
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 327.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71579575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).