[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine

C12H14N6OS — CID 62056013

IUPAC[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCCc2nc(-c3cccs3)no2)nn1
InChIInChI=1S/C12H14N6OS/c13-7-9-8-18(17-15-9)5-1-4-11-14-12(16-19-11)10-3-2-6-20-10/h2-3,6,8H,1,4-5,7,13H2
InChIKeyQEBJYHCLUTVTFQ-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.48
Rot. Bonds6

About [1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine

[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine (PubChem CID 62056013) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is [1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine
PubChem CID62056013
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCCc2nc(-c3cccs3)no2)nn1
InChIInChI=1S/C12H14N6OS/c13-7-9-8-18(17-15-9)5-1-4-11-14-12(16-19-11)10-3-2-6-20-10/h2-3,6,8H,1,4-5,7,13H2
InChIKeyQEBJYHCLUTVTFQ-UHFFFAOYSA-N
XLogP1.48
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]butan-1-amine
CID 104539212
2-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]acetic acid
CID 107461289
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal
CID 130369057
[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]methanol
CID 60500930
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 28737412
5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78825450
3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole
CID 55409485
1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 60837559
3-tert-butyl-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,2,4-triazol-4-amine
CID 35520303
5-[3-(3-methylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 65448841
5-[3-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78829542

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine (CID 62056013) is [1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine is NCc1cn(CCCc2nc(-c3cccs3)no2)nn1.
What is the InChIKey of [1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine?
The InChIKey is QEBJYHCLUTVTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c13-7-9-8-18(17-15-9)5-1-4-11-14-12(16-19-11)10-3-2-6-20-10/h2-3,6,8H,1,4-5,7,13H2.
What are the key properties of [1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine?
[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine has a molecular weight of 290.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62056013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).