1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine

C15H18N4O2S — CID 47014017

IUPAC1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCN(C)C(CNCc1nc(-c2ccsc2)no1)c1ccco1
InChIInChI=1S/C15H18N4O2S/c1-19(2)12(13-4-3-6-20-13)8-16-9-14-17-15(18-21-14)11-5-7-22-10-11/h3-7,10,12,16H,8-9H2,1-2H3
InChIKeyVLFOIDPXCACAAX-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.78
Rot. Bonds7

About 1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine

1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 47014017) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID47014017
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCN(C)C(CNCc1nc(-c2ccsc2)no1)c1ccco1
InChIInChI=1S/C15H18N4O2S/c1-19(2)12(13-4-3-6-20-13)8-16-9-14-17-15(18-21-14)11-5-7-22-10-11/h3-7,10,12,16H,8-9H2,1-2H3
InChIKeyVLFOIDPXCACAAX-UHFFFAOYSA-N
XLogP2.78
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine (CID 47014017) is 1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine is CN(C)C(CNCc1nc(-c2ccsc2)no1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is VLFOIDPXCACAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-19(2)12(13-4-3-6-20-13)8-16-9-14-17-15(18-21-14)11-5-7-22-10-11/h3-7,10,12,16H,8-9H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine?
1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 318.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 47014017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).