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

C16H14ClN3OS — CID 71578937

IUPAC2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1
InChIInChI=1S/C16H14ClN3OS/c17-13-3-1-12(2-4-13)16-19-18-15(21-16)10-20-7-5-11-6-8-22-14(11)9-20/h1-4,6,8H,5,7,9-10H2
InChIKeyNOLKMYKVHWSCLB-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.01
Rot. Bonds3

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

2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole (PubChem CID 71578937) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole
PubChem CID71578937
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1
InChIInChI=1S/C16H14ClN3OS/c17-13-3-1-12(2-4-13)16-19-18-15(21-16)10-20-7-5-11-6-8-22-14(11)9-20/h1-4,6,8H,5,7,9-10H2
InChIKeyNOLKMYKVHWSCLB-UHFFFAOYSA-N
XLogP4.01
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole (CID 71578937) is 2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is NOLKMYKVHWSCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c17-13-3-1-12(2-4-13)16-19-18-15(21-16)10-20-7-5-11-6-8-22-14(11)9-20/h1-4,6,8H,5,7,9-10H2.
What are the key properties of 2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 331.83 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71578937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).