N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

C12H22N4OS — CID 113435593

IUPACN',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCCN(CC)CC(N)c1noc(C2CCSC2)n1
InChIInChI=1S/C12H22N4OS/c1-3-16(4-2)7-10(13)11-14-12(17-15-11)9-5-6-18-8-9/h9-10H,3-8,13H2,1-2H3
InChIKeyZWTVVLRJIACQEU-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.63
Rot. Bonds6

About N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (PubChem CID 113435593) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
PubChem CID113435593
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC NameN',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCCN(CC)CC(N)c1noc(C2CCSC2)n1
InChIInChI=1S/C12H22N4OS/c1-3-16(4-2)7-10(13)11-14-12(17-15-11)9-5-6-18-8-9/h9-10H,3-8,13H2,1-2H3
InChIKeyZWTVVLRJIACQEU-UHFFFAOYSA-N
XLogP1.63
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (CID 113435593) is N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is CCN(CC)CC(N)c1noc(C2CCSC2)n1.
What is the InChIKey of N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The InChIKey is ZWTVVLRJIACQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-3-16(4-2)7-10(13)11-14-12(17-15-11)9-5-6-18-8-9/h9-10H,3-8,13H2,1-2H3.
What are the key properties of N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine has a molecular weight of 270.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 113435593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).