1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone

C16H27N3O3S — CID 100643125

IUPAC1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone
SMILESCCN(CC)Cc1nc(C2(O)CCN(C(=O)COC)CC2)cs1
InChIInChI=1S/C16H27N3O3S/c1-4-18(5-2)10-14-17-13(12-23-14)16(21)6-8-19(9-7-16)15(20)11-22-3/h12,21H,4-11H2,1-3H3
InChIKeyPRZFLGBMJJAZLR-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.44
Rot. Bonds7

About 1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone

1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone (PubChem CID 100643125) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone
PubChem CID100643125
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone
SMILESCCN(CC)Cc1nc(C2(O)CCN(C(=O)COC)CC2)cs1
InChIInChI=1S/C16H27N3O3S/c1-4-18(5-2)10-14-17-13(12-23-14)16(21)6-8-19(9-7-16)15(20)11-22-3/h12,21H,4-11H2,1-3H3
InChIKeyPRZFLGBMJJAZLR-UHFFFAOYSA-N
XLogP1.44
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone (CID 100643125) is 1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone is CCN(CC)Cc1nc(C2(O)CCN(C(=O)COC)CC2)cs1.
What is the InChIKey of 1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone?
The InChIKey is PRZFLGBMJJAZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-4-18(5-2)10-14-17-13(12-23-14)16(21)6-8-19(9-7-16)15(20)11-22-3/h12,21H,4-11H2,1-3H3.
What are the key properties of 1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone?
1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone has a molecular weight of 341.48 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 100643125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).