2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine

C12H14N6OS — CID 63999534

IUPAC2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(Cc2noc(-c3cccs3)n2)nn1
InChIInChI=1S/C12H14N6OS/c1-12(2,13)9-6-18(17-15-9)7-10-14-11(19-16-10)8-4-3-5-20-8/h3-6H,7,13H2,1-2H3
InChIKeyFGEJGVAYKFLAHU-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.63
Rot. Bonds4

About 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine

2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine (PubChem CID 63999534) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine
PubChem CID63999534
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(Cc2noc(-c3cccs3)n2)nn1
InChIInChI=1S/C12H14N6OS/c1-12(2,13)9-6-18(17-15-9)7-10-14-11(19-16-10)8-4-3-5-20-8/h3-6H,7,13H2,1-2H3
InChIKeyFGEJGVAYKFLAHU-UHFFFAOYSA-N
XLogP1.63
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine with MolForge

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Related Compounds

2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol
CID 55067381
3-tert-butyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 37326413
3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 52619765
5-ethyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxylic acid
CID 62060129
1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63594663
4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 1133765
2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115638239
3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 10067157
3-[(2,5-dimethylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 64980601
3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53170046
(2R)-2-amino-3-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butanoic acid
CID 106442400
methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate
CID 47054237

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine (CID 63999534) is 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine is CC(C)(N)c1cn(Cc2noc(-c3cccs3)n2)nn1.
What is the InChIKey of 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine?
The InChIKey is FGEJGVAYKFLAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-12(2,13)9-6-18(17-15-9)7-10-14-11(19-16-10)8-4-3-5-20-8/h3-6H,7,13H2,1-2H3.
What are the key properties of 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine?
2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine has a molecular weight of 290.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine is sourced from PubChem (CID 63999534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).