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

C17H17N3O2S — CID 29483164

IUPAC5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3CCc4sccc4C3)n2)cc1
InChIInChI=1S/C17H17N3O2S/c1-21-14-4-2-12(3-5-14)17-18-16(22-19-17)11-20-8-6-15-13(10-20)7-9-23-15/h2-5,7,9H,6,8,10-11H2,1H3
InChIKeyAFTJIIDOIKKZSA-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.37
Rot. Bonds4

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

5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 29483164) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID29483164
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3CCc4sccc4C3)n2)cc1
InChIInChI=1S/C17H17N3O2S/c1-21-14-4-2-12(3-5-14)17-18-16(22-19-17)11-20-8-6-15-13(10-20)7-9-23-15/h2-5,7,9H,6,8,10-11H2,1H3
InChIKeyAFTJIIDOIKKZSA-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

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

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Related Compounds

5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041283
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908822
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963710
3-(4-methoxyphenyl)-5-[[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55648707
(2R)-4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine
CID 33026890
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905454
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(1-propylcyclobutyl)-1,2,4-oxadiazole
CID 167763948
[3-[[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752608
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 38148884
5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041284
(E)-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 24614326
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774978

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 29483164) is 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(CN3CCc4sccc4C3)n2)cc1.
What is the InChIKey of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is AFTJIIDOIKKZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-21-14-4-2-12(3-5-14)17-18-16(22-19-17)11-20-8-6-15-13(10-20)7-9-23-15/h2-5,7,9H,6,8,10-11H2,1H3.
What are the key properties of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-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 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 29483164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).