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

C20H26FN3O2S — CID 100643054

IUPAC[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-(3-fluorophenyl)methanone
SMILESCCN(CC)Cc1nc(C2(O)CCN(C(=O)c3cccc(F)c3)CC2)cs1
InChIInChI=1S/C20H26FN3O2S/c1-3-23(4-2)13-18-22-17(14-27-18)20(26)8-10-24(11-9-20)19(25)15-6-5-7-16(21)12-15/h5-7,12,14,26H,3-4,8-11,13H2,1-2H3
InChIKeyXFGFZKFCZUVKOM-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.25
Rot. Bonds6

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

[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 100643054) has the molecular formula C20H26FN3O2S and a molecular weight of 391.51 g/mol. Its IUPAC name is [4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID100643054
Molecular FormulaC20H26FN3O2S
Molecular Weight391.51 g/mol
Exact Mass391.17
IUPAC Name[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-(3-fluorophenyl)methanone
SMILESCCN(CC)Cc1nc(C2(O)CCN(C(=O)c3cccc(F)c3)CC2)cs1
InChIInChI=1S/C20H26FN3O2S/c1-3-23(4-2)13-18-22-17(14-27-18)20(26)8-10-24(11-9-20)19(25)15-6-5-7-16(21)12-15/h5-7,12,14,26H,3-4,8-11,13H2,1-2H3
InChIKeyXFGFZKFCZUVKOM-UHFFFAOYSA-N
XLogP3.25
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-(3-fluorophenyl)methanone (CID 100643054) is [4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-(3-fluorophenyl)methanone is CCN(CC)Cc1nc(C2(O)CCN(C(=O)c3cccc(F)c3)CC2)cs1.
What is the InChIKey of [4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is XFGFZKFCZUVKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2S/c1-3-23(4-2)13-18-22-17(14-27-18)20(26)8-10-24(11-9-20)19(25)15-6-5-7-16(21)12-15/h5-7,12,14,26H,3-4,8-11,13H2,1-2H3.
What are the key properties of [4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-(3-fluorophenyl)methanone?
[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 391.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 100643054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).