N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide

C14H17N3O2S2 — CID 119104794

IUPACN-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1nc(C2CCSCC2)no1
InChIInChI=1S/C14H17N3O2S2/c18-12(8-11-2-1-5-21-11)15-9-13-16-14(17-19-13)10-3-6-20-7-4-10/h1-2,5,10H,3-4,6-9H2,(H,15,18)
InChIKeyGYIIHXWBXYQBFA-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.60
Rot. Bonds5

About N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide

N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 119104794) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID119104794
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1nc(C2CCSCC2)no1
InChIInChI=1S/C14H17N3O2S2/c18-12(8-11-2-1-5-21-11)15-9-13-16-14(17-19-13)10-3-6-20-7-4-10/h1-2,5,10H,3-4,6-9H2,(H,15,18)
InChIKeyGYIIHXWBXYQBFA-UHFFFAOYSA-N
XLogP2.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide (CID 119104794) is N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1nc(C2CCSCC2)no1.
What is the InChIKey of N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is GYIIHXWBXYQBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c18-12(8-11-2-1-5-21-11)15-9-13-16-14(17-19-13)10-3-6-20-7-4-10/h1-2,5,10H,3-4,6-9H2,(H,15,18).
What are the key properties of N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 323.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 119104794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).