2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride

C15H27Cl2N3O2S — CID 119493097

IUPAC2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
SMILESCCOC(C)c1nc(CC(=O)N2CCCC(NC)C2)cs1.Cl.Cl
InChIInChI=1S/C15H25N3O2S.2ClH/c1-4-20-11(2)15-17-13(10-21-15)8-14(19)18-7-5-6-12(9-18)16-3;;/h10-12,16H,4-9H2,1-3H3;2*1H
InChIKeyVUWAUFDDKNLEQK-UHFFFAOYSA-N
MW384.37 g/mol
LogP2.84
Rot. Bonds6

About 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride

2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride (PubChem CID 119493097) has the molecular formula C15H27Cl2N3O2S and a molecular weight of 384.37 g/mol. Its IUPAC name is 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
PubChem CID119493097
Molecular FormulaC15H27Cl2N3O2S
Molecular Weight384.37 g/mol
Exact Mass383.12
IUPAC Name2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
SMILESCCOC(C)c1nc(CC(=O)N2CCCC(NC)C2)cs1.Cl.Cl
InChIInChI=1S/C15H25N3O2S.2ClH/c1-4-20-11(2)15-17-13(10-21-15)8-14(19)18-7-5-6-12(9-18)16-3;;/h10-12,16H,4-9H2,1-3H3;2*1H
InChIKeyVUWAUFDDKNLEQK-UHFFFAOYSA-N
XLogP2.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-tert-butyl-1,3-thiazol-4-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119493816
2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 119489393
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
CID 124590393
N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47035830
1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 119488489
1-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
CID 96512780
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124575158
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119492797
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 82547847
(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
CID 94111233
1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone
CID 122149082
1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704760

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride (CID 119493097) is 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride is CCOC(C)c1nc(CC(=O)N2CCCC(NC)C2)cs1.Cl.Cl.
What is the InChIKey of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride?
The InChIKey is VUWAUFDDKNLEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.2ClH/c1-4-20-11(2)15-17-13(10-21-15)8-14(19)18-7-5-6-12(9-18)16-3;;/h10-12,16H,4-9H2,1-3H3;2*1H.
What are the key properties of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride?
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride has a molecular weight of 384.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119493097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).