1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine

C13H22N2S — CID 80609462

IUPAC1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
SMILESCC(N)c1csc(C2CCCCCCC2)n1
InChIInChI=1S/C13H22N2S/c1-10(14)12-9-16-13(15-12)11-7-5-3-2-4-6-8-11/h9-11H,2-8,14H2,1H3
InChIKeyBGNJHDRGSRGOQE-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.99
Rot. Bonds2

About 1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine

1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 80609462) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
PubChem CID80609462
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
SMILESCC(N)c1csc(C2CCCCCCC2)n1
InChIInChI=1S/C13H22N2S/c1-10(14)12-9-16-13(15-12)11-7-5-3-2-4-6-8-11/h9-11H,2-8,14H2,1H3
InChIKeyBGNJHDRGSRGOQE-UHFFFAOYSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine (CID 80609462) is 1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine is CC(N)c1csc(C2CCCCCCC2)n1.
What is the InChIKey of 1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is BGNJHDRGSRGOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(14)12-9-16-13(15-12)11-7-5-3-2-4-6-8-11/h9-11H,2-8,14H2,1H3.
What are the key properties of 1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine?
1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 80609462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).