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

C12H19N5OS — CID 106962103

IUPAC5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NC(C)c2nccs2)o1
InChIInChI=1S/C12H19N5OS/c1-4-5-13-8(2)10-16-17-12(18-10)15-9(3)11-14-6-7-19-11/h6-9,13H,4-5H2,1-3H3,(H,15,17)
InChIKeyAENQGWZLKGAXFT-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.76
Rot. Bonds7

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

5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106962103) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106962103
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC Name5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NC(C)c2nccs2)o1
InChIInChI=1S/C12H19N5OS/c1-4-5-13-8(2)10-16-17-12(18-10)15-9(3)11-14-6-7-19-11/h6-9,13H,4-5H2,1-3H3,(H,15,17)
InChIKeyAENQGWZLKGAXFT-UHFFFAOYSA-N
XLogP2.76
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106962100
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine
CID 61332596
N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960360
N-[1-(3-chlorophenyl)ethyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106971201
5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80825581
N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960756
5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106967102
5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106959383
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
5-[1-(propylamino)ethyl]-N-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106964046
N-[(4-ethylphenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967432

Frequently Asked Questions

What is the IUPAC name of 5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106962103) is 5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NC(C)c2nccs2)o1.
What is the InChIKey of 5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is AENQGWZLKGAXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-4-5-13-8(2)10-16-17-12(18-10)15-9(3)11-14-6-7-19-11/h6-9,13H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 281.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).