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

C9H9N3O2S2 — CID 859898

IUPACN-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCNC(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C9H9N3O2S2/c1-10-7(13)5-16-9-12-11-8(14-9)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,13)
InChIKeyJZNFIZAGPRHZLI-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.64
Rot. Bonds4

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

N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 859898) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID859898
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC NameN-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCNC(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C9H9N3O2S2/c1-10-7(13)5-16-9-12-11-8(14-9)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,13)
InChIKeyJZNFIZAGPRHZLI-UHFFFAOYSA-N
XLogP1.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 859898) is N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CNC(=O)CSc1nnc(-c2cccs2)o1.
What is the InChIKey of N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is JZNFIZAGPRHZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c1-10-7(13)5-16-9-12-11-8(14-9)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,13).
What are the key properties of N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 859898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).