1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C15H24N2OS — CID 79074674

IUPAC1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)C2(N(C)C)CCCC(C)C2)cs1
InChIInChI=1S/C15H24N2OS/c1-11-6-5-7-15(9-11,17(3)4)14(18)8-13-10-19-12(2)16-13/h10-11H,5-9H2,1-4H3
InChIKeyNUXIJGWRJGFQJK-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.07
Rot. Bonds4

About 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 79074674) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID79074674
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)C2(N(C)C)CCCC(C)C2)cs1
InChIInChI=1S/C15H24N2OS/c1-11-6-5-7-15(9-11,17(3)4)14(18)8-13-10-19-12(2)16-13/h10-11H,5-9H2,1-4H3
InChIKeyNUXIJGWRJGFQJK-UHFFFAOYSA-N
XLogP3.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-1-methylcyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116607340
2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062448
1-(aminomethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 115442008
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one
CID 79074378
N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 54942911
1-(azepan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116582673
N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46966961
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110125644
1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 64762742
1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116603189

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 79074674) is 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)C2(N(C)C)CCCC(C)C2)cs1.
What is the InChIKey of 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is NUXIJGWRJGFQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11-6-5-7-15(9-11,17(3)4)14(18)8-13-10-19-12(2)16-13/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 280.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 79074674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).