2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

C15H10N4O2S2 — CID 2084566

IUPAC2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1
InChIInChI=1S/C15H10N4O2S2/c1-2-5-10(6-3-1)13-17-16-12(20-13)9-23-15-19-18-14(21-15)11-7-4-8-22-11/h1-8H,9H2
InChIKeyHJMHKNVUXQZNFV-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.14
Rot. Bonds5

About 2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 2084566) has the molecular formula C15H10N4O2S2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID2084566
Molecular FormulaC15H10N4O2S2
Molecular Weight342.41 g/mol
Exact Mass342.02
IUPAC Name2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1
InChIInChI=1S/C15H10N4O2S2/c1-2-5-10(6-3-1)13-17-16-12(20-13)9-23-15-19-18-14(21-15)11-7-4-8-22-11/h1-8H,9H2
InChIKeyHJMHKNVUXQZNFV-UHFFFAOYSA-N
XLogP4.14
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 2084566) is 2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is HJMHKNVUXQZNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S2/c1-2-5-10(6-3-1)13-17-16-12(20-13)9-23-15-19-18-14(21-15)11-7-4-8-22-11/h1-8H,9H2.
What are the key properties of 2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 342.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2084566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).