1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine

C11H19N3OS — CID 105138577

IUPAC1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine
SMILESCCc1nnsc1C(N)CC1CCOCC1
InChIInChI=1S/C11H19N3OS/c1-2-10-11(16-14-13-10)9(12)7-8-3-5-15-6-4-8/h8-9H,2-7,12H2,1H3
InChIKeyZKUCYGCNISLFFK-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.92
Rot. Bonds4

About 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine

1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 105138577) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine
PubChem CID105138577
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine
SMILESCCc1nnsc1C(N)CC1CCOCC1
InChIInChI=1S/C11H19N3OS/c1-2-10-11(16-14-13-10)9(12)7-8-3-5-15-6-4-8/h8-9H,2-7,12H2,1H3
InChIKeyZKUCYGCNISLFFK-UHFFFAOYSA-N
XLogP1.92
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine (CID 105138577) is 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine is CCc1nnsc1C(N)CC1CCOCC1.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is ZKUCYGCNISLFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-10-11(16-14-13-10)9(12)7-8-3-5-15-6-4-8/h8-9H,2-7,12H2,1H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine?
1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine has a molecular weight of 241.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 105138577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).