2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C20H16N4O2S2 — CID 1114737

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H16N4O2S2/c25-17(22-19-21-16(12-27-19)15-9-5-2-6-10-15)13-28-20-24-23-18(26-20)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2,(H,21,22,25)
InChIKeyZKFRAPZALLWLEG-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.51
Rot. Bonds7

About 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1114737) has the molecular formula C20H16N4O2S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID1114737
Molecular FormulaC20H16N4O2S2
Molecular Weight408.51 g/mol
Exact Mass408.07
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H16N4O2S2/c25-17(22-19-21-16(12-27-19)15-9-5-2-6-10-15)13-28-20-24-23-18(26-20)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2,(H,21,22,25)
InChIKeyZKFRAPZALLWLEG-UHFFFAOYSA-N
XLogP4.51
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 1114737) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(CSc1nnc(Cc2ccccc2)o1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZKFRAPZALLWLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S2/c25-17(22-19-21-16(12-27-19)15-9-5-2-6-10-15)13-28-20-24-23-18(26-20)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2,(H,21,22,25).
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 408.51 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1114737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).