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

C12H22N4OS — CID 106963106

IUPAC5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCC2CCCS2)o1
InChIInChI=1S/C12H22N4OS/c1-3-6-13-9(2)11-15-16-12(17-11)14-8-10-5-4-7-18-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyMDXNXNPLKFBIRD-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.44
Rot. Bonds7

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

5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963106) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106963106
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCC2CCCS2)o1
InChIInChI=1S/C12H22N4OS/c1-3-6-13-9(2)11-15-16-12(17-11)14-8-10-5-4-7-18-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyMDXNXNPLKFBIRD-UHFFFAOYSA-N
XLogP2.44
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968919
N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963576
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
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106962643
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-[(4-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960955
N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 103166387
N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970865
N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106969227
5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963272

Frequently Asked Questions

What is the IUPAC name of 5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106963106) is 5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NCC2CCCS2)o1.
What is the InChIKey of 5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MDXNXNPLKFBIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-3-6-13-9(2)11-15-16-12(17-11)14-8-10-5-4-7-18-10/h9-10,13H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 270.40 g/mol, XLogP of 2.44, 7 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-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).