5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole

C14H11ClN2OS2 — CID 2740446

IUPAC5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(CSCc2nc(-c3ccsc3)no2)cc1
InChIInChI=1S/C14H11ClN2OS2/c15-12-3-1-10(2-4-12)7-20-9-13-16-14(17-18-13)11-5-6-19-8-11/h1-6,8H,7,9H2
InChIKeyIZIPKMYZLCZVFV-UHFFFAOYSA-N
MW322.84 g/mol
LogP4.88
Rot. Bonds5

About 5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole

5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 2740446) has the molecular formula C14H11ClN2OS2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID2740446
Molecular FormulaC14H11ClN2OS2
Molecular Weight322.84 g/mol
Exact Mass322.00
IUPAC Name5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(CSCc2nc(-c3ccsc3)no2)cc1
InChIInChI=1S/C14H11ClN2OS2/c15-12-3-1-10(2-4-12)7-20-9-13-16-14(17-18-13)11-5-6-19-8-11/h1-6,8H,7,9H2
InChIKeyIZIPKMYZLCZVFV-UHFFFAOYSA-N
XLogP4.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole (CID 2740446) is 5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole is Clc1ccc(CSCc2nc(-c3ccsc3)no2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is IZIPKMYZLCZVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS2/c15-12-3-1-10(2-4-12)7-20-9-13-16-14(17-18-13)11-5-6-19-8-11/h1-6,8H,7,9H2.
What are the key properties of 5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 322.84 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylsulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2740446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).