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

C16H13Cl2N3OS — CID 71579662

IUPAC2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3OS/c17-11-1-2-12(13(18)7-11)16-20-19-15(22-16)9-21-5-3-10-4-6-23-14(10)8-21/h1-2,4,6-7H,3,5,8-9H2
InChIKeyHJCXVSXLYZLRDD-UHFFFAOYSA-N
MW366.27 g/mol
LogP4.66
Rot. Bonds3

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

2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole (PubChem CID 71579662) has the molecular formula C16H13Cl2N3OS and a molecular weight of 366.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole
PubChem CID71579662
Molecular FormulaC16H13Cl2N3OS
Molecular Weight366.27 g/mol
Exact Mass365.02
IUPAC Name2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3OS/c17-11-1-2-12(13(18)7-11)16-20-19-15(22-16)9-21-5-3-10-4-6-23-14(10)8-21/h1-2,4,6-7H,3,5,8-9H2
InChIKeyHJCXVSXLYZLRDD-UHFFFAOYSA-N
XLogP4.66
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole (CID 71579662) is 2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is HJCXVSXLYZLRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3OS/c17-11-1-2-12(13(18)7-11)16-20-19-15(22-16)9-21-5-3-10-4-6-23-14(10)8-21/h1-2,4,6-7H,3,5,8-9H2.
What are the key properties of 2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole?
2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 366.27 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71579662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).