1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one

C16H26N2O3S — CID 86951123

IUPAC1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one
SMILESCCc1csc(C2CCCN(C(=O)C(C)OCCOC)C2)n1
InChIInChI=1S/C16H26N2O3S/c1-4-14-11-22-15(17-14)13-6-5-7-18(10-13)16(19)12(2)21-9-8-20-3/h11-13H,4-10H2,1-3H3
InChIKeyQGINWKPQARXLNS-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.46
Rot. Bonds7

About 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one (PubChem CID 86951123) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one
PubChem CID86951123
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one
SMILESCCc1csc(C2CCCN(C(=O)C(C)OCCOC)C2)n1
InChIInChI=1S/C16H26N2O3S/c1-4-14-11-22-15(17-14)13-6-5-7-18(10-13)16(19)12(2)21-9-8-20-3/h11-13H,4-10H2,1-3H3
InChIKeyQGINWKPQARXLNS-UHFFFAOYSA-N
XLogP2.46
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503625
(2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 95771251
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
(2R)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95767904
4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120565277
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95767968
2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid
CID 119135138
2-ethyl-1-[3-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-one;methane
CID 159478001
2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119873569
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 95773881
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one?
The IUPAC name of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one (CID 86951123) is 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one.
What is the SMILES notation for 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one?
The canonical SMILES for 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one is CCc1csc(C2CCCN(C(=O)C(C)OCCOC)C2)n1.
What is the InChIKey of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one?
The InChIKey is QGINWKPQARXLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-4-14-11-22-15(17-14)13-6-5-7-18(10-13)16(19)12(2)21-9-8-20-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one?
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one has a molecular weight of 326.46 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one is sourced from PubChem (CID 86951123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).