2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide

C8H14N4O2S — CID 663215

IUPAC2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nnc(CCN)o1
InChIInChI=1S/C8H14N4O2S/c1-12(2)7(13)5-15-8-11-10-6(14-8)3-4-9/h3-5,9H2,1-2H3
InChIKeyKOBUSMLPRGWIJN-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.25
Rot. Bonds5

About 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide

2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide (PubChem CID 663215) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
PubChem CID663215
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nnc(CCN)o1
InChIInChI=1S/C8H14N4O2S/c1-12(2)7(13)5-15-8-11-10-6(14-8)3-4-9/h3-5,9H2,1-2H3
InChIKeyKOBUSMLPRGWIJN-UHFFFAOYSA-N
XLogP-0.25
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-((5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-diethylacetamide hydrochloride
CID 6602734
2-((5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-dimethylacetamide hydrochloride
CID 6603366
2-((5-(2-Aminoethyl)-1,3,4-oxadiazol-2-yl)thio)acetamide hydrochloride
CID 11957169
Tert-butyl [2-(5-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 662535
2-[5-((S)-1-Amino-ethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N,N-dimethyl-acetamide
CID 11957162
2-{[5-(2-Aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 1399170
N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 4612970
2-{[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N,N-diethylacetamide
CID 663217
2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 931613
2-[[5-(2-Aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride
CID 53314636
2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
CID 53314749
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
CID 53314800

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide (CID 663215) is 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide is CN(C)C(=O)CSc1nnc(CCN)o1.
What is the InChIKey of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The InChIKey is KOBUSMLPRGWIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-12(2)7(13)5-15-8-11-10-6(14-8)3-4-9/h3-5,9H2,1-2H3.
What are the key properties of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide has a molecular weight of 230.29 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 663215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).