N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C10H15N5OS — CID 65207581

IUPACN-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(-c2snnc2CC)o1
InChIInChI=1S/C10H15N5OS/c1-4-7-8(17-15-12-7)10-14-13-9(16-10)6(3)11-5-2/h6,11H,4-5H2,1-3H3
InChIKeyQBACXYXNAYNQMG-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.82
Rot. Bonds5

About N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine

N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 65207581) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID65207581
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC NameN-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(-c2snnc2CC)o1
InChIInChI=1S/C10H15N5OS/c1-4-7-8(17-15-12-7)10-14-13-9(16-10)6(3)11-5-2/h6,11H,4-5H2,1-3H3
InChIKeyQBACXYXNAYNQMG-UHFFFAOYSA-N
XLogP1.82
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 65207581) is N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CCNC(C)c1nnc(-c2snnc2CC)o1.
What is the InChIKey of N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is QBACXYXNAYNQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-4-7-8(17-15-12-7)10-14-13-9(16-10)6(3)11-5-2/h6,11H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 253.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 65207581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).