1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone

C15H25N3O2S — CID 122149082

IUPAC1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone
SMILESCCOC(C)c1nc(CC(=O)N2CCC(N)CC2C)cs1
InChIInChI=1S/C15H25N3O2S/c1-4-20-11(3)15-17-13(9-21-15)8-14(19)18-6-5-12(16)7-10(18)2/h9-12H,4-8,16H2,1-3H3
InChIKeyWWUWCHVYETYWDF-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.12
Rot. Bonds5

About 1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone

1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 122149082) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID122149082
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone
SMILESCCOC(C)c1nc(CC(=O)N2CCC(N)CC2C)cs1
InChIInChI=1S/C15H25N3O2S/c1-4-20-11(3)15-17-13(9-21-15)8-14(19)18-6-5-12(16)7-10(18)2/h9-12H,4-8,16H2,1-3H3
InChIKeyWWUWCHVYETYWDF-UHFFFAOYSA-N
XLogP2.12
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124683577
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
CID 124590393
(3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125152734
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 124691937
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119493097
1-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
CID 96512780
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 120880213
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111460235
ethyl 4-[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110450870
1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone
CID 122149206
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 111429992

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone (CID 122149082) is 1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone is CCOC(C)c1nc(CC(=O)N2CCC(N)CC2C)cs1.
What is the InChIKey of 1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is WWUWCHVYETYWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-20-11(3)15-17-13(9-21-15)8-14(19)18-6-5-12(16)7-10(18)2/h9-12H,4-8,16H2,1-3H3.
What are the key properties of 1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone?
1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 311.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 122149082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).