N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride

C15H25Cl2N5O2S — CID 120752871

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride
SMILESCN(Cc1noc(CN)n1)CC(c1cccs1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C15H23N5O2S.2ClH/c1-19(11-14-17-15(9-16)22-18-14)10-12(13-3-2-8-23-13)20-4-6-21-7-5-20;;/h2-3,8,12H,4-7,9-11,16H2,1H3;2*1H
InChIKeyACXBHIXCZMGZOV-UHFFFAOYSA-N
MW410.37 g/mol
LogP1.94
Rot. Bonds7

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride (PubChem CID 120752871) has the molecular formula C15H25Cl2N5O2S and a molecular weight of 410.37 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride
PubChem CID120752871
Molecular FormulaC15H25Cl2N5O2S
Molecular Weight410.37 g/mol
Exact Mass409.11
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride
SMILESCN(Cc1noc(CN)n1)CC(c1cccs1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C15H23N5O2S.2ClH/c1-19(11-14-17-15(9-16)22-18-14)10-12(13-3-2-8-23-13)20-4-6-21-7-5-20;;/h2-3,8,12H,4-7,9-11,16H2,1H3;2*1H
InChIKeyACXBHIXCZMGZOV-UHFFFAOYSA-N
XLogP1.94
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride (CID 120752871) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride is CN(Cc1noc(CN)n1)CC(c1cccs1)N1CCOCC1.Cl.Cl.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride?
The InChIKey is ACXBHIXCZMGZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S.2ClH/c1-19(11-14-17-15(9-16)22-18-14)10-12(13-3-2-8-23-13)20-4-6-21-7-5-20;;/h2-3,8,12H,4-7,9-11,16H2,1H3;2*1H.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride has a molecular weight of 410.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride is sourced from PubChem (CID 120752871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).