2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide

C16H15N3O2S2 — CID 42110032

IUPAC2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCSc1ccc(CC(=O)Nc2nnc(Cc3cccs3)o2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-22-12-6-4-11(5-7-12)9-14(20)17-16-19-18-15(21-16)10-13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,17,19,20)
InChIKeyYUTDCSZITHFADE-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.62
Rot. Bonds6

About 2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide

2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 42110032) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID42110032
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCSc1ccc(CC(=O)Nc2nnc(Cc3cccs3)o2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-22-12-6-4-11(5-7-12)9-14(20)17-16-19-18-15(21-16)10-13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,17,19,20)
InChIKeyYUTDCSZITHFADE-UHFFFAOYSA-N
XLogP3.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide 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 2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 42110032) is 2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide is CSc1ccc(CC(=O)Nc2nnc(Cc3cccs3)o2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is YUTDCSZITHFADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-22-12-6-4-11(5-7-12)9-14(20)17-16-19-18-15(21-16)10-13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,17,19,20).
What are the key properties of 2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 42110032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).