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

C11H17N5OS — CID 104635635

IUPACN',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCCN(CC)CC(N)c1noc(-c2cscn2)n1
InChIInChI=1S/C11H17N5OS/c1-3-16(4-2)5-8(12)10-14-11(17-15-10)9-6-18-7-13-9/h6-8H,3-5,12H2,1-2H3
InChIKeyPXUAQHCZKBNLTM-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.53
Rot. Bonds6

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

N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (PubChem CID 104635635) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
PubChem CID104635635
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC NameN',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCCN(CC)CC(N)c1noc(-c2cscn2)n1
InChIInChI=1S/C11H17N5OS/c1-3-16(4-2)5-8(12)10-14-11(17-15-10)9-6-18-7-13-9/h6-8H,3-5,12H2,1-2H3
InChIKeyPXUAQHCZKBNLTM-UHFFFAOYSA-N
XLogP1.53
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 63022879
3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 103095688
1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096272
N',N'-diethyl-1-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
CID 104672221
1-[5-(3-chloro-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 103405257
1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 107965441
1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635449
1-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635622
1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635621
N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635674
N',N'-diethyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635435
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635578

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (CID 104635635) is N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is CCN(CC)CC(N)c1noc(-c2cscn2)n1.
What is the InChIKey of N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The InChIKey is PXUAQHCZKBNLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-3-16(4-2)5-8(12)10-14-11(17-15-10)9-6-18-7-13-9/h6-8H,3-5,12H2,1-2H3.
What are the key properties of N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine has a molecular weight of 267.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 104635635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).