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

C11H16N2OS — CID 116550466

IUPAC1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESNC1(C(=O)Cc2nccs2)CCCCC1
InChIInChI=1S/C11H16N2OS/c12-11(4-2-1-3-5-11)9(14)8-10-13-6-7-15-10/h6-7H,1-5,8,12H2
InChIKeyWACJRTKYZFOCHG-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.92
Rot. Bonds3

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

1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 116550466) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID116550466
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESNC1(C(=O)Cc2nccs2)CCCCC1
InChIInChI=1S/C11H16N2OS/c12-11(4-2-1-3-5-11)9(14)8-10-13-6-7-15-10/h6-7H,1-5,8,12H2
InChIKeyWACJRTKYZFOCHG-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 116575387
1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116706920
1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 119891584
1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79825005
1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 103450798
1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116568006
1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116550422
1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 82238390
(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 24691325
2-(1,3-thiazol-2-ylmethyl)prop-2-enamide
CID 57004643
1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116579837
1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone
CID 116558765

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone (CID 116550466) is 1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone is NC1(C(=O)Cc2nccs2)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is WACJRTKYZFOCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-11(4-2-1-3-5-11)9(14)8-10-13-6-7-15-10/h6-7H,1-5,8,12H2.
What are the key properties of 1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 224.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116550466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).