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

C10H18ClN4O2S- — CID 53314863

IUPAC2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride
SMILESCCN(CC)C(=O)CSc1nnc(CCN)o1.[Cl-]
InChIInChI=1S/C10H18N4O2S.ClH/c1-3-14(4-2)9(15)7-17-10-13-12-8(16-10)5-6-11;/h3-7,11H2,1-2H3;1H/p-1
InChIKeyFMCQBYBHECUZFJ-UHFFFAOYSA-M
MW293.80 g/mol
LogP-2.46
Rot. Bonds7

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

2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride (PubChem CID 53314863) has the molecular formula C10H18ClN4O2S- and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride.

Molecular Properties

Compound Name2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride
PubChem CID53314863
Molecular FormulaC10H18ClN4O2S-
Molecular Weight293.80 g/mol
Exact Mass293.08
IUPAC Name2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride
SMILESCCN(CC)C(=O)CSc1nnc(CCN)o1.[Cl-]
InChIInChI=1S/C10H18N4O2S.ClH/c1-3-14(4-2)9(15)7-17-10-13-12-8(16-10)5-6-11;/h3-7,11H2,1-2H3;1H/p-1
InChIKeyFMCQBYBHECUZFJ-UHFFFAOYSA-M
XLogP-2.46
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 5-2.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride?
The IUPAC name of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride (CID 53314863) is 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride.
What is the SMILES notation for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride?
The canonical SMILES for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride is CCN(CC)C(=O)CSc1nnc(CCN)o1.[Cl-].
What is the InChIKey of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride?
The InChIKey is FMCQBYBHECUZFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18N4O2S.ClH/c1-3-14(4-2)9(15)7-17-10-13-12-8(16-10)5-6-11;/h3-7,11H2,1-2H3;1H/p-1.
What are the key properties of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride?
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride has a molecular weight of 293.80 g/mol, XLogP of -2.46, 7 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-diethylacetamide chloride is sourced from PubChem (CID 53314863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).