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

C14H13N3OS2 — CID 71720810

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1csc(-c2nnc(CN3CCc4ccsc4C3)o2)c1
InChIInChI=1S/C14H13N3OS2/c1-2-11(19-6-1)14-16-15-13(18-14)9-17-5-3-10-4-7-20-12(10)8-17/h1-2,4,6-7H,3,5,8-9H2
InChIKeyDDSTYPLKMYKMSF-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.42
Rot. Bonds3

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

2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 71720810) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID71720810
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1csc(-c2nnc(CN3CCc4ccsc4C3)o2)c1
InChIInChI=1S/C14H13N3OS2/c1-2-11(19-6-1)14-16-15-13(18-14)9-17-5-3-10-4-7-20-12(10)8-17/h1-2,4,6-7H,3,5,8-9H2
InChIKeyDDSTYPLKMYKMSF-UHFFFAOYSA-N
XLogP3.42
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
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2-[(2-Phenylpyrrolidin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
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N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
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2-(1,3-Dihydroisoindol-2-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 145968608
2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole
CID 71578937
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CID 71579574
2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 71579661
4-[2-[(5-Thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine
CID 75393578
[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl][(thiophen-2-yl)methyl]amine
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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-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole (CID 71720810) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole is c1csc(-c2nnc(CN3CCc4ccsc4C3)o2)c1.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is DDSTYPLKMYKMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-2-11(19-6-1)14-16-15-13(18-14)9-17-5-3-10-4-7-20-12(10)8-17/h1-2,4,6-7H,3,5,8-9H2.
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 303.41 g/mol, XLogP of 3.42, 3 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-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 71720810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).