5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine

C13H20N4OS — CID 106959383

IUPAC5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCCc2ccsc2)o1
InChIInChI=1S/C13H20N4OS/c1-3-6-14-10(2)12-16-17-13(18-12)15-7-4-11-5-8-19-9-11/h5,8-10,14H,3-4,6-7H2,1-2H3,(H,15,17)
InChIKeyGOUPTGKWZQPGSG-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.85
Rot. Bonds8

About 5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine

5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106959383) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106959383
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCCc2ccsc2)o1
InChIInChI=1S/C13H20N4OS/c1-3-6-14-10(2)12-16-17-13(18-12)15-7-4-11-5-8-19-9-11/h5,8-10,14H,3-4,6-7H2,1-2H3,(H,15,17)
InChIKeyGOUPTGKWZQPGSG-UHFFFAOYSA-N
XLogP2.85
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylphenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967432
5-[1-(ethylamino)ethyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966363
5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106967102
N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964952
5-[1-(propylamino)ethyl]-N-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106964046
5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969532
N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960479
1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474918
N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968064
2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80961771
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
N-(cyclohexylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968919

Frequently Asked Questions

What is the IUPAC name of 5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine (CID 106959383) is 5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NCCc2ccsc2)o1.
What is the InChIKey of 5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GOUPTGKWZQPGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-3-6-14-10(2)12-16-17-13(18-12)15-7-4-11-5-8-19-9-11/h5,8-10,14H,3-4,6-7H2,1-2H3,(H,15,17).
What are the key properties of 5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine?
5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).