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

C10H17N3S — CID 105151524

IUPAC2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine
SMILESCCc1nnsc1C(N)CC1CCC1
InChIInChI=1S/C10H17N3S/c1-2-9-10(14-13-12-9)8(11)6-7-4-3-5-7/h7-8H,2-6,11H2,1H3
InChIKeyOYWSYGAGAXWXJJ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.29
Rot. Bonds4

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

2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine (PubChem CID 105151524) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine
PubChem CID105151524
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine
SMILESCCc1nnsc1C(N)CC1CCC1
InChIInChI=1S/C10H17N3S/c1-2-9-10(14-13-12-9)8(11)6-7-4-3-5-7/h7-8H,2-6,11H2,1H3
InChIKeyOYWSYGAGAXWXJJ-UHFFFAOYSA-N
XLogP2.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine (CID 105151524) is 2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine is CCc1nnsc1C(N)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine?
The InChIKey is OYWSYGAGAXWXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-9-10(14-13-12-9)8(11)6-7-4-3-5-7/h7-8H,2-6,11H2,1H3.
What are the key properties of 2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine?
2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105151524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).