[3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine

C13H18ClN5OS — CID 120752523

IUPAC[3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CN2CCN(Cc3ccc(Cl)s3)CC2)no1
InChIInChI=1S/C13H18ClN5OS/c14-11-2-1-10(21-11)8-18-3-5-19(6-4-18)9-12-16-13(7-15)20-17-12/h1-2H,3-9,15H2
InChIKeySOQPDPPXKOENMY-UHFFFAOYSA-N
MW327.84 g/mol
LogP1.56
Rot. Bonds5

About [3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120752523) has the molecular formula C13H18ClN5OS and a molecular weight of 327.84 g/mol. Its IUPAC name is [3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120752523
Molecular FormulaC13H18ClN5OS
Molecular Weight327.84 g/mol
Exact Mass327.09
IUPAC Name[3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CN2CCN(Cc3ccc(Cl)s3)CC2)no1
InChIInChI=1S/C13H18ClN5OS/c14-11-2-1-10(21-11)8-18-3-5-19(6-4-18)9-12-16-13(7-15)20-17-12/h1-2H,3-9,15H2
InChIKeySOQPDPPXKOENMY-UHFFFAOYSA-N
XLogP1.56
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine with MolForge

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Related Compounds

[3-[[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752611
[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752482
[3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120753102
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone
CID 120751325
[3-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752530
[3-[[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752661
1-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 120750981
[3-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752607
[3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752650
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 120751382
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 120750643
5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897575

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120752523) is [3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(CN2CCN(Cc3ccc(Cl)s3)CC2)no1.
What is the InChIKey of [3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is SOQPDPPXKOENMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5OS/c14-11-2-1-10(21-11)8-18-3-5-19(6-4-18)9-12-16-13(7-15)20-17-12/h1-2H,3-9,15H2.
What are the key properties of [3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 327.84 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120752523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).