2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole

C10H5ClN2OS — CID 2372888

IUPAC2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole
SMILESClc1c(-c2nnco2)sc2ccccc12
InChIInChI=1S/C10H5ClN2OS/c11-8-6-3-1-2-4-7(6)15-9(8)10-13-12-5-14-10/h1-5H
InChIKeyRATTYDZIFOZWKL-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.60
Rot. Bonds1

About 2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole

2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 2372888) has the molecular formula C10H5ClN2OS and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole
PubChem CID2372888
Molecular FormulaC10H5ClN2OS
Molecular Weight236.68 g/mol
Exact Mass235.98
IUPAC Name2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole
SMILESClc1c(-c2nnco2)sc2ccccc12
InChIInChI=1S/C10H5ClN2OS/c11-8-6-3-1-2-4-7(6)15-9(8)10-13-12-5-14-10/h1-5H
InChIKeyRATTYDZIFOZWKL-UHFFFAOYSA-N
XLogP3.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole (CID 2372888) is 2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole is Clc1c(-c2nnco2)sc2ccccc12.
What is the InChIKey of 2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is RATTYDZIFOZWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2OS/c11-8-6-3-1-2-4-7(6)15-9(8)10-13-12-5-14-10/h1-5H.
What are the key properties of 2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole?
2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole has a molecular weight of 236.68 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 2372888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).