2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone

C15H12N2O3S2 — CID 859858

IUPAC2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
SMILESCOc1ccc(-c2nnc(SCC(=O)c3cccs3)o2)cc1
InChIInChI=1S/C15H12N2O3S2/c1-19-11-6-4-10(5-7-11)14-16-17-15(20-14)22-9-12(18)13-3-2-8-21-13/h2-8H,9H2,1H3
InChIKeyALKYSSXVMHJAFX-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.78
Rot. Bonds6

About 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone

2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone (PubChem CID 859858) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
PubChem CID859858
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC Name2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
SMILESCOc1ccc(-c2nnc(SCC(=O)c3cccs3)o2)cc1
InChIInChI=1S/C15H12N2O3S2/c1-19-11-6-4-10(5-7-11)14-16-17-15(20-14)22-9-12(18)13-3-2-8-21-13/h2-8H,9H2,1H3
InChIKeyALKYSSXVMHJAFX-UHFFFAOYSA-N
XLogP3.78
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone (CID 859858) is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone is COc1ccc(-c2nnc(SCC(=O)c3cccs3)o2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone?
The InChIKey is ALKYSSXVMHJAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c1-19-11-6-4-10(5-7-11)14-16-17-15(20-14)22-9-12(18)13-3-2-8-21-13/h2-8H,9H2,1H3.
What are the key properties of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone?
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone has a molecular weight of 332.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 859858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).