1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone

C11H16N2OS — CID 116579911

IUPAC1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESNC1CCCCC1C(=O)Cc1cncs1
InChIInChI=1S/C11H16N2OS/c12-10-4-2-1-3-9(10)11(14)5-8-6-13-7-15-8/h6-7,9-10H,1-5,12H2
InChIKeyJYTOLJKWYQASGX-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.77
Rot. Bonds3

About 1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone

1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 116579911) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID116579911
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESNC1CCCCC1C(=O)Cc1cncs1
InChIInChI=1S/C11H16N2OS/c12-10-4-2-1-3-9(10)11(14)5-8-6-13-7-15-8/h6-7,9-10H,1-5,12H2
InChIKeyJYTOLJKWYQASGX-UHFFFAOYSA-N
XLogP1.77
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone (CID 116579911) is 1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone is NC1CCCCC1C(=O)Cc1cncs1.
What is the InChIKey of 1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is JYTOLJKWYQASGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-10-4-2-1-3-9(10)11(14)5-8-6-13-7-15-8/h6-7,9-10H,1-5,12H2.
What are the key properties of 1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 224.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 116579911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).