N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine

C12H16N4OS — CID 66182398

IUPACN-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine
SMILESCCN(Cc1nnc(-c2cccs2)o1)C1CNC1
InChIInChI=1S/C12H16N4OS/c1-2-16(9-6-13-7-9)8-11-14-15-12(17-11)10-4-3-5-18-10/h3-5,9,13H,2,6-8H2,1H3
InChIKeyOEMGWHGAYDYLSP-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.59
Rot. Bonds5

About N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine

N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine (PubChem CID 66182398) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine
PubChem CID66182398
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine
SMILESCCN(Cc1nnc(-c2cccs2)o1)C1CNC1
InChIInChI=1S/C12H16N4OS/c1-2-16(9-6-13-7-9)8-11-14-15-12(17-11)10-4-3-5-18-10/h3-5,9,13H,2,6-8H2,1H3
InChIKeyOEMGWHGAYDYLSP-UHFFFAOYSA-N
XLogP1.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine?
The IUPAC name of N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine (CID 66182398) is N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine?
The canonical SMILES for N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine is CCN(Cc1nnc(-c2cccs2)o1)C1CNC1.
What is the InChIKey of N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine?
The InChIKey is OEMGWHGAYDYLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-16(9-6-13-7-9)8-11-14-15-12(17-11)10-4-3-5-18-10/h3-5,9,13H,2,6-8H2,1H3.
What are the key properties of N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine?
N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine has a molecular weight of 264.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 66182398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).