3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide

C15H19N3O3S2 — CID 26396888

IUPAC3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide
SMILESCSCCCNC(=O)CCc1nnc(-c2ccc(C(C)=O)s2)o1
InChIInChI=1S/C15H19N3O3S2/c1-10(19)11-4-5-12(23-11)15-18-17-14(21-15)7-6-13(20)16-8-3-9-22-2/h4-5H,3,6-9H2,1-2H3,(H,16,20)
InChIKeyOGRKYCFPQJWGOB-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.80
Rot. Bonds9

About 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide

3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide (PubChem CID 26396888) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide
PubChem CID26396888
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide
SMILESCSCCCNC(=O)CCc1nnc(-c2ccc(C(C)=O)s2)o1
InChIInChI=1S/C15H19N3O3S2/c1-10(19)11-4-5-12(23-11)15-18-17-14(21-15)7-6-13(20)16-8-3-9-22-2/h4-5H,3,6-9H2,1-2H3,(H,16,20)
InChIKeyOGRKYCFPQJWGOB-UHFFFAOYSA-N
XLogP2.80
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide?
The IUPAC name of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide (CID 26396888) is 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide.
What is the SMILES notation for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide?
The canonical SMILES for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide is CSCCCNC(=O)CCc1nnc(-c2ccc(C(C)=O)s2)o1.
What is the InChIKey of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide?
The InChIKey is OGRKYCFPQJWGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-10(19)11-4-5-12(23-11)15-18-17-14(21-15)7-6-13(20)16-8-3-9-22-2/h4-5H,3,6-9H2,1-2H3,(H,16,20).
What are the key properties of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide?
3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide is sourced from PubChem (CID 26396888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).