propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

C10H14N3OS+ — CID 7063736

IUPACpropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCCC[NH2+]Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H13N3OS/c1-2-5-11-7-9-12-13-10(14-9)8-4-3-6-15-8/h3-4,6,11H,2,5,7H2,1H3/p+1
InChIKeyXUSFHDRSBSMRSS-UHFFFAOYSA-O
MW224.31 g/mol
LogP1.27
Rot. Bonds5

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

propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 7063736) has the molecular formula C10H14N3OS+ and a molecular weight of 224.31 g/mol. Its IUPAC name is propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

Compound Namepropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
PubChem CID7063736
Molecular FormulaC10H14N3OS+
Molecular Weight224.31 g/mol
Exact Mass224.09
IUPAC Namepropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCCC[NH2+]Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H13N3OS/c1-2-5-11-7-9-12-13-10(14-9)8-4-3-6-15-8/h3-4,6,11H,2,5,7H2,1H3/p+1
InChIKeyXUSFHDRSBSMRSS-UHFFFAOYSA-O
XLogP1.27
TPSA55.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The IUPAC name of propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 7063736) is propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.
What is the SMILES notation for propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The canonical SMILES for propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is CCC[NH2+]Cc1nnc(-c2cccs2)o1.
What is the InChIKey of propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The InChIKey is XUSFHDRSBSMRSS-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N3OS/c1-2-5-11-7-9-12-13-10(14-9)8-4-3-6-15-8/h3-4,6,11H,2,5,7H2,1H3/p+1.
What are the key properties of propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 224.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 7063736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).