1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C12H18N2OS — CID 116579981

IUPAC1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)C2CCCCC2N)n1
InChIInChI=1S/C12H18N2OS/c1-8-7-16-12(14-8)6-11(15)9-4-2-3-5-10(9)13/h7,9-10H,2-6,13H2,1H3
InChIKeyMKNXSEKLCMWTCO-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.08
Rot. Bonds3

About 1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 116579981) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID116579981
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)C2CCCCC2N)n1
InChIInChI=1S/C12H18N2OS/c1-8-7-16-12(14-8)6-11(15)9-4-2-3-5-10(9)13/h7,9-10H,2-6,13H2,1H3
InChIKeyMKNXSEKLCMWTCO-UHFFFAOYSA-N
XLogP2.08
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116579837
1-(4-methylpyrrolidin-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116572647
1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 107003979
1-(2-amino-1-methylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116607345
N-cyclohexyl-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484514
1-[2-(aminomethyl)cyclohexyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 116584612
1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 116579911
1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789180
1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone
CID 116579919
1-(2-aminocycloheptyl)-2-(4-bromothiophen-2-yl)ethanone
CID 116595278
CID 131842856
CID 131842856
2-(2-cyclopentylethyl)-4-methyl-1,3-thiazole
CID 101058674

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 116579981) is 1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)C2CCCCC2N)n1.
What is the InChIKey of 1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is MKNXSEKLCMWTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8-7-16-12(14-8)6-11(15)9-4-2-3-5-10(9)13/h7,9-10H,2-6,13H2,1H3.
What are the key properties of 1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 238.36 g/mol, XLogP of 2.08, 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-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116579981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).