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

C11H16N2OS — CID 116579837

IUPAC1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESNC1CCCCC1C(=O)Cc1nccs1
InChIInChI=1S/C11H16N2OS/c12-9-4-2-1-3-8(9)10(14)7-11-13-5-6-15-11/h5-6,8-9H,1-4,7,12H2
InChIKeyZDBKJRIXWGKVIU-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.77
Rot. Bonds3

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

1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 116579837) 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-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID116579837
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESNC1CCCCC1C(=O)Cc1nccs1
InChIInChI=1S/C11H16N2OS/c12-9-4-2-1-3-8(9)10(14)7-11-13-5-6-15-11/h5-6,8-9H,1-4,7,12H2
InChIKeyZDBKJRIXWGKVIU-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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Related Compounds

1-[2-(aminomethyl)cyclopentyl]-2-(1,3-thiazol-2-yl)ethanone
CID 116584260
1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116579981
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 64825025
1-piperidin-2-yl-2-(1,3-thiazol-2-yl)ethanone
CID 116547771
1-(3-aminocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116587134
1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 116579911
1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116580040
1-(2-aminocycloheptyl)-2-(4-bromothiophen-2-yl)ethanone
CID 116595278
2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 114127550
1-(2-aminocyclopentyl)-2-thiophen-3-ylethanone
CID 116580255
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 64822199
1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 79824120

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone (CID 116579837) is 1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone is NC1CCCCC1C(=O)Cc1nccs1.
What is the InChIKey of 1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is ZDBKJRIXWGKVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-9-4-2-1-3-8(9)10(14)7-11-13-5-6-15-11/h5-6,8-9H,1-4,7,12H2.
What are the key properties of 1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-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-2-yl)ethanone is sourced from PubChem (CID 116579837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).