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

C14H26N4OS — CID 104635646

IUPACN',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCCN(CC)CC(N)c1noc(CC2CCSCC2)n1
InChIInChI=1S/C14H26N4OS/c1-3-18(4-2)10-12(15)14-16-13(19-17-14)9-11-5-7-20-8-6-11/h11-12H,3-10,15H2,1-2H3
InChIKeyRHOUKJCQHNQPAU-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.10
Rot. Bonds7

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

N',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (PubChem CID 104635646) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is N',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
PubChem CID104635646
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC NameN',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCCN(CC)CC(N)c1noc(CC2CCSCC2)n1
InChIInChI=1S/C14H26N4OS/c1-3-18(4-2)10-12(15)14-16-13(19-17-14)9-11-5-7-20-8-6-11/h11-12H,3-10,15H2,1-2H3
InChIKeyRHOUKJCQHNQPAU-UHFFFAOYSA-N
XLogP2.10
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 83137324
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635196
N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 113435593
N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 113435589
2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633268
1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 113435584
4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 83138229
1-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 83135958
N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635635
N',N'-diethyl-1-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
CID 104672221
1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 107965441
1-[5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077367

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (CID 104635646) is N',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is CCN(CC)CC(N)c1noc(CC2CCSCC2)n1.
What is the InChIKey of N',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The InChIKey is RHOUKJCQHNQPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-3-18(4-2)10-12(15)14-16-13(19-17-14)9-11-5-7-20-8-6-11/h11-12H,3-10,15H2,1-2H3.
What are the key properties of N',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
N',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine has a molecular weight of 298.46 g/mol, XLogP of 2.10, 7 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-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 104635646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).